smiles
stringlengths 185
283
| yield
float64 0
100
| canonical_smiles
stringclasses 15
values | others_smiles
stringclasses 264
values | mapped_smiles
stringclasses 15
values |
|---|---|---|---|---|
FC(F)(F)c1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc2oncc2c1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 18.977117 |
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Cl)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CN1CCCN2CCCN=C12.CS(C)=O.c1ccc2oncc2c1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Cl[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc2oncc2c1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 28.60232 |
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Br)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CN1CCCN2CCCN=C12.CS(C)=O.c1ccc2oncc2c1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Br[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc2oncc2c1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 40.27114 |
Cc1ccc(N)cc1.FC(F)(F)c1ccc(I)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CN1CCCN2CCCN=C12.CS(C)=O.c1ccc2oncc2c1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.I[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc2oncc2c1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 0 |
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CN1CCCN2CCCN=C12.CS(C)=O.c1ccc2oncc2c1
|
Cl[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc2oncc2c1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 1.794411 |
COc1ccc(Br)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CN1CCCN2CCCN=C12.CS(C)=O.c1ccc2oncc2c1
|
Br[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc2oncc2c1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 2.066223 |
COc1ccc(I)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CN1CCCN2CCCN=C12.CS(C)=O.c1ccc2oncc2c1
|
I[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc2oncc2c1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 5.163801 |
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CN1CCCN2CCCN=C12.CS(C)=O.c1ccc2oncc2c1
|
Cl[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc2oncc2c1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 11.89077 |
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CN1CCCN2CCCN=C12.CS(C)=O.c1ccc2oncc2c1
|
Br[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc2oncc2c1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 29.837757 |
CCc1ccc(I)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CN1CCCN2CCCN=C12.CS(C)=O.c1ccc2oncc2c1
|
I[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
Clc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc2oncc2c1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 16.580426 |
Cc1ccc(N)cc1.Clc1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CN1CCCN2CCCN=C12.CS(C)=O.c1ccc2oncc2c1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Brc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc2oncc2c1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 26.942425 |
Brc1ccccn1.Cc1ccc(N)cc1>>Cc1ccc(Nc2ccccn2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CN1CCCN2CCCN=C12.CS(C)=O.c1ccc2oncc2c1
|
Br[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Ic1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc2oncc2c1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 27.310094 |
Cc1ccc(N)cc1.Ic1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CN1CCCN2CCCN=C12.CS(C)=O.c1ccc2oncc2c1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Clc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc2oncc2c1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 5.543746 |
Cc1ccc(N)cc1.Clc1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CN1CCCN2CCCN=C12.CS(C)=O.c1ccc2oncc2c1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Brc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc2oncc2c1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 10.253417 |
Brc1cccnc1.Cc1ccc(N)cc1>>Cc1ccc(Nc2cccnc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CN1CCCN2CCCN=C12.CS(C)=O.c1ccc2oncc2c1
|
Br[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Ic1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.c1ccc2oncc2c1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 14.866859 |
Cc1ccc(N)cc1.Ic1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C2CCCCC2)(C2CCCCC2)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CN1CCCN2CCCN=C12.CS(C)=O.c1ccc2oncc2c1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
FC(F)(F)c1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 0 |
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Cl)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1ccon1.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Cl[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 0 |
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Br)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1ccon1.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Br[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 0 |
Cc1ccc(N)cc1.FC(F)(F)c1ccc(I)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1ccon1.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.I[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 0 |
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1ccon1.CS(C)=O
|
Cl[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 0.801087 |
COc1ccc(Br)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1ccon1.CS(C)=O
|
Br[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 2.974277 |
COc1ccc(I)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1ccon1.CS(C)=O
|
I[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 0 |
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1ccon1.CS(C)=O
|
Cl[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 1.599459 |
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1ccon1.CS(C)=O
|
Br[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 2.601591 |
CCc1ccc(I)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1ccon1.CS(C)=O
|
I[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
Clc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 3.510094 |
Cc1ccc(N)cc1.Clc1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1ccon1.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Brc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 8.008432 |
Brc1ccccn1.Cc1ccc(N)cc1>>Cc1ccc(Nc2ccccn2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1ccon1.CS(C)=O
|
Br[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Ic1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 9.011993 |
Cc1ccc(N)cc1.Ic1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1ccon1.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Clc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 0 |
Cc1ccc(N)cc1.Clc1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1ccon1.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Brc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 0 |
Brc1cccnc1.Cc1ccc(N)cc1>>Cc1ccc(Nc2cccnc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1ccon1.CS(C)=O
|
Br[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Ic1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 1.171056 |
Cc1ccc(N)cc1.Ic1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1ccon1.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
FC(F)(F)c1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 24.213097 |
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Cl)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Cl[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 35.923892 |
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Br)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Br[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 35.326651 |
Cc1ccc(N)cc1.FC(F)(F)c1ccc(I)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.I[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 0.553507 |
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
Cl[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 36.528711 |
COc1ccc(Br)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
Br[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 40.651155 |
COc1ccc(I)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
I[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 2.40875 |
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
Cl[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 56.843372 |
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
Br[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 58.992334 |
CCc1ccc(I)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
I[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
Clc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 60.261022 |
Cc1ccc(N)cc1.Clc1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Brc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 60.252067 |
Brc1ccccn1.Cc1ccc(N)cc1>>Cc1ccc(Nc2ccccn2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
Br[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Ic1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 63.428799 |
Cc1ccc(N)cc1.Ic1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Clc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 25.827739 |
Cc1ccc(N)cc1.Clc1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Brc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 60.283575 |
Brc1cccnc1.Cc1ccc(N)cc1>>Cc1ccc(Nc2cccnc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
Br[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Ic1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 61.928585 |
Cc1ccc(N)cc1.Ic1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
FC(F)(F)c1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 28.132793 |
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Cl)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Cl[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 40.097232 |
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Br)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Br[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 48.695003 |
Cc1ccc(N)cc1.FC(F)(F)c1ccc(I)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.I[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 0.723968 |
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O
|
Cl[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 51.388956 |
COc1ccc(Br)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O
|
Br[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 56.620804 |
COc1ccc(I)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O
|
I[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 2.853941 |
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O
|
Cl[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 73.319323 |
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O
|
Br[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 74.440464 |
CCc1ccc(I)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O
|
I[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
Clc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 81.536946 |
Cc1ccc(N)cc1.Clc1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Brc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 85.401779 |
Brc1ccccn1.Cc1ccc(N)cc1>>Cc1ccc(Nc2ccccn2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O
|
Br[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Ic1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 88.513907 |
Cc1ccc(N)cc1.Ic1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Clc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 31.874667 |
Cc1ccc(N)cc1.Clc1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Brc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 85.81228 |
Brc1cccnc1.Cc1ccc(N)cc1>>Cc1ccc(Nc2cccnc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O
|
Br[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Ic1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 83.313333 |
Cc1ccc(N)cc1.Ic1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1ccon1.CN1CCCN2CCCN=C12.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
FC(F)(F)c1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 13.026553 |
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Cl)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cnoc1C.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Cl[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 16.098366 |
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Br)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cnoc1C.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Br[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 15.874106 |
Cc1ccc(N)cc1.FC(F)(F)c1ccc(I)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cnoc1C.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.I[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 1.87942 |
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cnoc1C.CS(C)=O
|
Cl[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 14.856993 |
COc1ccc(Br)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cnoc1C.CS(C)=O
|
Br[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 19.378972 |
COc1ccc(I)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cnoc1C.CS(C)=O
|
I[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 4.578652 |
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cnoc1C.CS(C)=O
|
Cl[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 22.008452 |
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cnoc1C.CS(C)=O
|
Br[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 22.223401 |
CCc1ccc(I)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cnoc1C.CS(C)=O
|
I[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
Clc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 21.682219 |
Cc1ccc(N)cc1.Clc1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cnoc1C.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Brc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 35.064789 |
Brc1ccccn1.Cc1ccc(N)cc1>>Cc1ccc(Nc2ccccn2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cnoc1C.CS(C)=O
|
Br[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Ic1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 30.724596 |
Cc1ccc(N)cc1.Ic1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cnoc1C.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Clc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 10.884724 |
Cc1ccc(N)cc1.Clc1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cnoc1C.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Brc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 21.375401 |
Brc1cccnc1.Cc1ccc(N)cc1>>Cc1ccc(Nc2cccnc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cnoc1C.CS(C)=O
|
Br[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Ic1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 23.671142 |
Cc1ccc(N)cc1.Ic1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCN=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.CCOC(=O)c1cnoc1C.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
FC(F)(F)c1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 0.747412 |
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Cl)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Cl[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 9.794715 |
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Br)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Br[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 23.971728 |
Cc1ccc(N)cc1.FC(F)(F)c1ccc(I)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.I[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 0 |
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
Cl[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 6.683677 |
COc1ccc(Br)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
Br[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 25.467885 |
COc1ccc(I)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
I[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 0 |
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
Cl[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 14.435836 |
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
Br[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 41.967365 |
CCc1ccc(I)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
I[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
Clc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 12.364095 |
Cc1ccc(N)cc1.Clc1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Brc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 33.740874 |
Brc1ccccn1.Cc1ccc(N)cc1>>Cc1ccc(Nc2ccccn2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
Br[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Ic1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 44.535832 |
Cc1ccc(N)cc1.Ic1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
Clc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 0 |
Cc1ccc(N)cc1.Clc1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Brc1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 30.439738 |
Brc1cccnc1.Cc1ccc(N)cc1>>Cc1ccc(Nc2cccnc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
Br[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
Ic1cccnc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O>Cc1ccc(Nc2cccnc2)cc1
| 39.106809 |
Cc1ccc(N)cc1.Ic1cccnc1>>Cc1ccc(Nc2cccnc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN(C)C(=NC(C)(C)C)N(C)C.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.I[c:7]1[cH:8][cH:9][cH:10][n:11][cH:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][n:11][cH:12]2)[cH:13][cH:14]1
|
FC(F)(F)c1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 22.894141 |
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Cl)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN1CCCN2CCCN=C12.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Cl[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 27.114968 |
Cc1ccc(N)cc1.FC(F)(F)c1ccc(Br)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN1CCCN2CCCN=C12.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.Br[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
FC(F)(F)c1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
| 41.66867 |
Cc1ccc(N)cc1.FC(F)(F)c1ccc(I)cc1>>Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN1CCCN2CCCN=C12.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:17][cH:18]1.I[c:7]1[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 2.863405 |
COc1ccc(Cl)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN1CCCN2CCCN=C12.CS(C)=O
|
Cl[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 21.622557 |
COc1ccc(Br)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN1CCCN2CCCN=C12.CS(C)=O
|
Br[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
COc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN1CCCN2CCCN=C12.CS(C)=O>COc1ccc(Nc2ccc(C)cc2)cc1
| 35.073625 |
COc1ccc(I)cc1.Cc1ccc(N)cc1>>COc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN1CCCN2CCCN=C12.CS(C)=O
|
I[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 13.569681 |
CCc1ccc(Cl)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN1CCCN2CCCN=C12.CS(C)=O
|
Cl[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 44.177854 |
CCc1ccc(Br)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN1CCCN2CCCN=C12.CS(C)=O
|
Br[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
CCc1ccc(I)cc1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN1CCCN2CCCN=C12.CS(C)=O>CCc1ccc(Nc2ccc(C)cc2)cc1
| 61.501693 |
CCc1ccc(I)cc1.Cc1ccc(N)cc1>>CCc1ccc(Nc2ccc(C)cc2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN1CCCN2CCCN=C12.CS(C)=O
|
I[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:16][cH:15]1.[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]1>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[cH:13][cH:14]2)[cH:15][cH:16]1
|
Clc1ccccn1.Cc1ccc(N)cc1>CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)(C(C)(C)C)->[Pd]2(OS(=O)(=O)C(F)(F)F)<-Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN1CCCN2CCCN=C12.CS(C)=O>Cc1ccc(Nc2ccccn2)cc1
| 48.361154 |
Cc1ccc(N)cc1.Clc1ccccn1>>Cc1ccc(Nc2ccccn2)cc1
|
CC(C)c1cc(C(C)C)c(-c2ccccc2[PH](C(C)(C)C)(C(C)(C)C)[Pd]2(OS(=O)(=O)C(F)(F)F)Nc3ccccc3-c3ccccc32)c(C(C)C)c1.CCOC(=O)c1cnoc1C.CN1CCCN2CCCN=C12.CS(C)=O
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:13][cH:14]1.Cl[c:7]1[cH:8][cH:9][cH:10][cH:11][n:12]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][n:12]2)[cH:13][cH:14]1
|
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