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stringlengths 25
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CCO.O=C(O)c1ccc([N+](=O)[O-])c(O)c1.O=C([O-])O~[Na+].O=S(=O)(O)O>>CCOC(=O)c1ccc([N+](=O)[O-])c(O)c1 | 33 |
CC1CCCO1.COCCCN(CCCc1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1)C(=O)OC(C)(C)C.Cl.O.[Na+].[OH-]>>COCCCNCCCc1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1 | 575 |
CCNCc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)OC)ccc1OC.O=C(Cl)C1CC1>>CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)OC)ccc1OC)C(=O)C1CC1 | 240 |
C1CCOC1.C1CNCCN1.O=Cc1cnc(Cl)s1.[Li+]~[OH-]>>O=Cc1cnc(N2CCNCC2)s1 | 558 |
CN(C)C=O.O=C(O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1.O=S(Cl)Cl>>O=C(Cl)c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1 | 3 |
C1CCOC1.CCCCCC.CCOC(C)=O.CI.OCc1cccc2c1Cc1ccccc1-2.[Li]CCCC>>COCc1cccc2c1Cc1ccccc1-2 | 140 |
CC(C)(C)OC(=O)N1CCC2(CC1)CC(c1cccc(O)c1)CO2.ClCCl.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.c1ccncc1>>CC(C)(C)OC(=O)N1CCC2(CC1)CC(c1cccc(OS(=O)(=O)C(F)(F)F)c1)CO2 | 731 |
C1CCOC1.N#CCc1cccc(Br)c1.O=S(=O)(O)O.[Al+3]~[H-]~[H-]~[H-]~[H-]~[Li+]>>NCCc1cccc(Br)c1 | 246 |
CN(C)C=O.CS(=O)(=O)NCCCl.Nc1cnc(-c2ccc(C3CCC3)c(O)c2F)cn1.O.O=C([O-])[O-]~[Cs+]~[Cs+]>>CS(=O)(=O)NCCOc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F | 74 |
NCCCn1cc(Cc2ncc[nH]2)c2ccccc21.O=S(=O)(Cl)c1ccccc1.c1ccncc1>>O=S(=O)(NCCCn1cc(Cc2ncc[nH]2)c2ccccc21)c1ccccc1 | 43 |
CCOC(=O)C(Cc1ccc(OCCOS(C)(=O)=O)cc1)Oc1ccccc1.[N-]=[N+]=[N-].[Na+]>>CCOC(=O)C(Cc1ccc(OCCN=[N+]=[N-])cc1)Oc1ccccc1 | 322 |
CC(=O)Cl.Cc1[nH]c2c(-c3ccc(F)cc3OCC3CC3)ncnc2c1C(=O)N[C@@H]1CC[C@@H](N)CC1~Cl>>CC(=O)N[C@@H]1CC[C@@H](NC(=O)c2c(C)[nH]c3c(-c4ccc(F)cc4OCC4CC4)ncnc23)CC1 | 45 |
CC(C)O.CCN(C(C)C)C(C)C.C[C@H](N)c1nc2ccc(F)cc2n1[C@@H]1C[C@@H](OCc2ccccc2)C1.N#Cc1c(N)ncnc1Cl>>C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1[C@@H]1C[C@@H](OCc2ccccc2)C1 | 110 |
Brc1ccc2c(c1)CCN2.CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O=C(O)Cc1cc(F)ccc1F>>O=C(Cc1cc(F)ccc1F)N1CCc2cc(Br)ccc21 | 315 |
CCO.COC(=O)c1ccc(N2CCCCCS2(=O)=O)c(C)c1.O.[Li+].[OH-]>>Cc1cc(C(=O)O)ccc1N1CCCCCS1(=O)=O | 247 |
C1CCNCC1.O=C([O-])[O-]~[K+]~[K+].O=C1CCc2cc(F)ccc21>>O=C1CCc2cc(N3CCCCC3)ccc21 | 26 |
CC(C)C1(c2ccccc2O)Sc2ccccc2N(C)C1=O.ClCC1CO1.O.[Na+].[OH-]>>CC(C)C1(c2ccccc2OCC2CO2)Sc2ccccc2N(C)C1=O | 15 |
CCO.CN.ClCC[C@@H](Oc1ccccc1Br)c1ccccc1>>CNCC[C@@H](Oc1ccccc1Br)c1ccccc1 | 279 |
CCCCCC~CCOC(C)=O.Clc1cccc(OC2CCNc3ncc(Br)cc32)c1.OB(O)c1ccc(N2CCOCC2)cc1>>Clc1cccc(OC2CCNc3ncc(-c4ccc(N5CCOCC5)cc4)cc32)c1 | 833 |
CCN=C=NCCCN(C)C.CN(C)C=O.O=C(O)c1c(Nc2ccc(Br)cc2F)c(Cl)c(=O)n2c1CCC2.On1nnc2ccccc21.[Cl-].[NH4+]>>NC(=O)c1c(Nc2ccc(Br)cc2F)c(Cl)c(=O)n2c1CCC2 | 704 |
CCOC(C)=O.O=C(NCCOC(=O)c1ccc([N+](=O)[O-])cc1)OCC1c2ccccc2-c2ccccc21.[Pd]>>Nc1ccc(C(=O)OCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 | 772 |
CC#N.COc1cccc2cc(C)[nH]c12.Cc1cc(C)nc(C)c1.N#N.O=C(Cl)C(Cl)(Cl)Cl>>COc1cccc2c(C(=O)C(Cl)(Cl)Cl)c(C)[nH]c12 | 524 |
CCCCCC(Oc1ccc(C2=CCCCC2)cc1)C(=O)OCC.CCO.[Na+].[OH-]>>CCCCCC(Oc1ccc(C2=CCCCC2)cc1)C(=O)O | 7 |
CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C.CCc1ccc(-c2nc3c(N4CCN(CCO)CC4)cccc3[nH]2)cc1.Cc1cc(O)ccc1[N+](=O)[O-].ClCCl.O=C(O)C(F)(F)F.c1ccc(P(c2ccccc2)c2ccccc2)cc1>>CCc1ccc(-c2nc3c(N4CCN(CCOc5ccc([N+](=O)[O-])c(C)c5)CC4)cccc3[nH]2)cc1 | 478 |
CCO.CCOC(=O)COc1cc2nc(N3CCOCC3)nc(N3CCC(n4c(=O)c5cc(C)ccc5n(C)c4=O)CC3)c2cc1OCC.[BH4-].[Na+]>>CCOc1cc2c(N3CCC(n4c(=O)c5cc(C)ccc5n(C)c4=O)CC3)nc(N3CCOCC3)nc2cc1OCCO | 225 |
C=CC12CCC(=O)C=C1c1c(cc(OCC(=O)OC)c(Cl)c1Cl)C2.CO.[Na+]~[OH-]>>C=CC12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2 | 88 |
CC(=O)N1CCCc2nc3ccccc3c(C)c2C1.CC(=O)O.OO>>CC(=O)N1CCCc2c(c(C)c3ccccc3[n+]2[O-])C1 | 396 |
CI.Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1CCC(=O)NCC1CC1>>Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1CCC(=O)N(C)CC1CC1 | 83 |
CCO.CO.NCCO.O=Cc1ccc(Cl)cc1.[BH4-]~[Na+]>>OCCNCc1ccc(Cl)cc1 | 468 |
CC(=O)[O-].Cl.NO.O.O=C1CCCc2ccc(F)cc21.[Na+]>>ON=C1CCCc2ccc(F)cc21 | 212 |
BrB(Br)Br.C1=CCCCC1.COc1ccc(S(=O)(=O)N2c3ccccc3-c3ccccc3[C@@H]2C(C)(C)C)cc1.ClCCl>>CC(C)(C)[C@H]1c2ccccc2-c2ccccc2N1S(=O)(=O)c1ccc(O)cc1 | 48 |
Cc1c(C(N)=O)[nH]c2c(Br)cc(C#N)cc12.OB(O)c1ccc(C(F)(F)F)cc1>>Cc1c(C(N)=O)[nH]c2c(-c3ccc(C(F)(F)F)cc3)cc(C#N)cc12 | 833 |
C1CCOC1.CCOC(=O)c1nc2ccccn2c1-c1cccnc1.CO.[BH4-].[Li+].[Na+].[OH-]>>OCc1nc2ccccn2c1-c1cccnc1 | 286 |
CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CC1CCCO1.CC[C@H](C)[C@H](NC)[C@@H](CC(=O)OC(C)(C)C)OC~Cl.CN1CCOCC1.COc1nc(Cl)nc(OC)n1>>CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C | 146 |
CO.COC(=O)CCCC1OCCCO1.O.[Na+]~[OH-]>>O=C(O)CCCC1OCCCO1 | 88 |
COC(=O)C(Cc1ccc(OCCNC(=O)c2ccc(-c3ccccn3)cc2)cc1)Sc1ccc(C)cc1.[Na+]~[OH-]>>Cc1ccc(SC(Cc2ccc(OCCNC(=O)c3ccc(-c4ccccn4)cc3)cc2)C(=O)O)cc1 | 88 |
C(=NC1CCCCC1)=NC1CCCCC1.CC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O.CCOC(C)=O.O=C(CNC(=O)[C@@H]1CCCN1)OCc1ccccc1.On1nnc2ccccc21>>CC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)OCc1ccccc1 | 297 |
C1COCCO1.CN(C)C(=O)Oc1cccc(NC(=O)C2(CNC(=O)OCc3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)c1.CO.Cl>>CN(C)C(=O)Oc1cccc(NC(=O)C2(CNC(=O)OCc3ccccc3)CCNCC2)c1 | 575 |
N#Cc1c[nH]c2ccc(CCNC(=O)c3ccc(-c4ccnc(Cl)n4)cc3)cc12.NCCCCCCN1CCCCC1>>N#Cc1c[nH]c2ccc(CCNC(=O)c3ccc(-c4ccnc(NCCCCCCN5CCCCC5)n4)cc3)cc12 | 544 |
C1CCOC1.CCOCC.CCc1cc(C(=O)O)cc(C)c1OCc1ccccc1.ClC(Cl)Cl.NN~O.O=S(Cl)Cl>>CCc1cc(C(=O)NN)cc(C)c1OCc1ccccc1 | 55 |
CC(C)C(=O)Cl.CCN(C(C)C)C(C)C.COC(=O)c1ccc(CN)nc1~Cl.ClCCl>>COC(=O)c1ccc(CNC(=O)C(C)C)nc1 | 45 |
C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)OC(C)(C)C)cc1.ClCCl.O=C(O)C(F)(F)F>>C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 | 752 |
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.C[C@H](O)C(=O)O.OCCN(c1ccccc1)c1nc(Nc2ccc(-c3cnco3)cc2)nc2c1CNCC2>>C[C@H](O)C(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1 | 146 |
C1CCOC1.CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(N(C)C)cc2)c1C.O.[Li+].[OH-]>>Cc1c(C(=O)O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(N(C)C)cc1 | 171 |
CCCCCOc1ccc(B(O)O)cc1.Cl[Pd]Cl.O.O=C(O)c1ccc(-c2ccc(I)cc2)cc1.O=C([O-])[O-].O=S(=O)(O)O.OCCO.[Na+].[Na+].c1ccc(P(c2ccccc2)c2ccccc2)cc1>>CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)cc1 | 855 |
CC(C)c1noc(N2CCC(CCCOc3ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c(F)c3)CC2)n1.CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.CCOC(C)=O.CN(C)C=O.Cl.FC1(F)CCNC1.On1nnc2ccccc21>>CC(C)c1noc(N2CCC(CCCOc3ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N4CCC(F)(F)C4)c(F)c3)CC2)n1 | 146 |
C1CNCCN1.COCCOCCOC.Cc1cc(C)nc(Cl)c1.O~[Cl-]~[Na+]>>Cc1cc(C)nc(N2CCNCC2)c1 | 220 |
CCN(CC)CC.CS(=O)(=O)Cl.ClCCl.O=C(c1csc(-c2cn[nH]c2)c1)N1CCCNCC1>>CS(=O)(=O)N1CCCN(C(=O)c2csc(-c3cn[nH]c3)c2)CC1 | 584 |
CC(C)(C)[Si](C)(C)OCC(CC(=O)OCc1ccccc1)NC(=O)C1CCC2CC=CCC(NC(=O)c3ccc4ccccc4c3)C(=O)N21.CO.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Na+].[OH-]>>CC(C)(C)[Si](C)(C)OCC(CC(=O)O)NC(=O)C1CCC2CC=CCC(NC(=O)c3ccc4ccccc4c3)C(=O)N21 | 186 |
C1COCCO1.CS(=O)(=O)c1cccc(B(O)O)c1.FC(F)(F)Oc1ccc(Nc2cc(N3CCCCC3)cc(Cl)n2)cc1.O.O=C([O-])[O-]~[Na+]~[Na+].[Pd]~c1ccc(P(c2ccccc2)c2ccccc2)cc1~c1ccc(P(c2ccccc2)c2ccccc2)cc1~c1ccc(P(c2ccccc2)c2ccccc2)cc1~c1ccc(P(c2ccccc2)c2ccccc2)cc1>>CS(=O)(=O)c1cccc(-c2cc(N3CCCCC3)cc(Nc3ccc(OC(F)(F)F)cc3)n2)c1 | 865 |
CCOC(=O)c1c(OCC)cc[nH]c1=O.CN(C)C=O.Fc1ccc(I)cc1.I[Cu]I.O=C([O-])[O-]~[Cs+]~[Cs+].Oc1cccc2cccnc12>>CCOC(=O)c1c(OCC)ccn(-c2ccc(F)cc2)c1=O | 267 |
CC(=O)[O-]~[Na+].CCCCCCCCCCCCO.O=C(O)c1ccc2oc3ccccc3c(=O)c2c1.O=S(=O)(O)O.O=S(=O)(O)O>>CCCCCCCCCCCCOC(=O)c1ccc2oc3ccccc3c(=O)c2c1 | 47 |
CC#CCOc1ccc(C[C@H](NC(=O)[C@@H](/C=C/CCCCCCC(=O)CCCCCCC)[C@@](O)(CCOC)C(=O)O)C(=O)OC)cc1.CCOC(C)=O.CO.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[BH4-]~[Na+]>>CC#CCOc1ccc(C[C@H](NC(=O)[C@@H](/C=C/CCCCCCC(O)CCCCCCC)[C@@](O)(CCOC)C(=O)O)C(=O)OC)cc1 | 91 |
CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.CN1CCOCC1.COc1cc2[nH]cc(CC(=O)O)c2cc1OCc1ccccc1.COc1ccc(-c2cccnc2[C@@H](N)Cc2cc(F)cc(F)c2)cc1.F[P-](F)(F)(F)(F)F>>COc1ccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3cc(OC)c(OCc4ccccc4)cc23)cc1 | 230 |
CO.COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2cccc(C(C)=O)c2)c1-c1ccccc1.O=C([O-])O.[BH4-].[Na+].[Na+]>>COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2cccc(C(C)O)c2)c1-c1ccccc1 | 24 |
CS(=O)(=O)Nc1cc(-n2c(=O)cc(C(F)(F)F)n3ccnc23)c(F)cc1Br.CS(C)=O.Cl.Cl[Fe]Cl.N#C[Cu]>>CS(=O)(=O)Nc1cc(-n2c(=O)cc(C(F)(F)F)n3ccnc23)c(F)cc1C#N | 531 |
ClCCl.OCc1cc2c(cn1)CCCC2.[Mn+4]~[O-2]~[O-2]>>O=Cc1cc2c(cn1)CCCC2 | 263 |
C1COCCN1.Cc1ccccc1.Nc1c2c(nc3ccccc13)CCCC2.O=Cc1ccccc1Cl>>Clc1ccccc1C=Nc1c2c(nc3ccccc13)CCCC2 | 329 |
CCOC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(N2CCCCC2Cc2ccccc2C)c1.CO.[Na+]~[OH-]>>Cc1ccccc1CC1CCCCN1c1cc(-c2ccc(C(F)(F)F)cc2)cc(C(CC(C)C)C(=O)O)c1 | 7 |
BrB(Br)Br.C=CCc1ccc(OC)cc1.ClCCl>>C=CCc1ccc(O)cc1 | 48 |
CC1CC(O)(CN)CCC1(F)F.CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.CN(C)C=O.COCCc1cc(C(=O)O)c2c(Cl)cccn12.Cl.On1nnc2ccccc21>>COCCc1cc(C(=O)NCC2(O)CCC(F)(F)C(C)C2)c2c(Cl)cccn12 | 674 |
C1CCOC1.CCO.CCOC(=O)CCc1cc(OCc2ccc(OCc3nc(-c4ccccc4)oc3C)c(OC)c2)nn1-c1ccccc1.Cl.[Na+].[OH-]>>COc1cc(COc2cc(CCC(=O)O)n(-c3ccccc3)n2)ccc1OCc1nc(-c2ccccc2)oc1C | 7 |
C1CCOC1.CS(=O)(=O)Cc1cccc([N+](=O)[O-])c1.Cl.[Cl-].[Cl-].[Cl-].[Na+].[OH-].[Ti+3]>>CS(=O)(=O)Cc1cccc(N)c1 | 1 |
CCO.COc1ccc(O)c(C=O)c1.Cl.NO.c1ccncc1>>COc1ccc(O)c(C=NO)c1 | 30 |
C=CCBr.CC(=O)Nc1ccc(O)cc1.CCC(C)=O.O=C([O-])[O-].[K+].[K+]>>C=CCOc1ccc(NC(C)=O)cc1 | 77 |
CC(=O)N(C)C.CC(=O)c1ccc(F)cc1Cl.CCCCCCC.CCOC(C)=O.N#Cc1ccc(O)cc1.O.O=C([O-])[O-].[K+].[K+]>>CC(=O)c1ccc(Oc2ccc(C#N)cc2)cc1Cl | 564 |
CC#N.COc1ccc(CC(=O)c2ccc(O)cc2)cc1.ClCc1ccccc1.O=C([O-])[O-].[K+].[K+]>>COc1ccc(CC(=O)c2ccc(OCc3ccccc3)cc2)cc1 | 49 |
CCN=C=NCCCN(C)C.Cc1onc(-c2cccc(C(F)(F)F)c2)c1C(=O)O.Cl.ClCCl.Fc1ccc(N2CCNCC2)cc1>>Cc1onc(-c2cccc(C(F)(F)F)c2)c1C(=O)N1CCN(c2ccc(F)cc2)CC1 | 975 |
B.C1CCOC1.CO.CSC.O=C1CCCc2sccc2N1>>c1cc2c(s1)CCCCN2 | 112 |
CC(C)(C)[O-]~[K+].CCOCC.C[P+](c1ccccc1)(c1ccccc1)c1ccccc1~[Br-].O=Cc1cccc(Oc2ccc(F)cc2)c1>>C=Cc1cccc(Oc2ccc(F)cc2)c1 | 649 |
CC(C)(C)[Si](C)(C)OC1CCN(c2cccc3c2ccn3-c2ccnc(S(C)(=O)=O)n2)C1.CCN(C(C)C)C(C)C.CN1CCCC1=O.CS(=O)(=O)NC1CCC(N)CC1~Cl>>CC(C)(C)[Si](C)(C)OC1CCN(c2cccc3c2ccn3-c2ccnc(NC3CCC(NS(C)(=O)=O)CC3)n2)C1 | 629 |
CCO.CCOC(=O)c1cnc2c(c(-c3ccc(C)cc3)nn2C(C)(C)C)c1N.[Na+]~[OH-]>>Cc1ccc(-c2nn(C(C)(C)C)c3ncc(C(=O)O)c(N)c23)cc1 | 171 |
CC(C)CC(=O)Cl.Nc1cccc(-c2ccnc3c(Br)cnn23)c1>>CC(C)CC(=O)Nc1cccc(-c2ccnc3c(Br)cnn23)c1 | 9 |
CCOC(OCC)[C@H](C)N(Cc1csc2ccccc12)C(=O)[C@@H](N)CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1.CN(CC(=O)O)NC(=O)NCc1ccc(Cl)cc1>>CCOC(OCC)[C@H](C)N(Cc1csc2ccccc12)C(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)CN(C)NC(=O)NCc1ccc(Cl)cc1 | 133 |
BrB(Br)Br.COc1cc(Cl)c(Br)cc1S(=O)(=O)N1CCCCc2ccccc21.ClCCl>>O=S(=O)(c1cc(Br)c(Cl)cc1O)N1CCCCc2ccccc21 | 48 |
CC(C)(C)OC(=O)N1CCC(COC[C@H](N)c2ccccc2)CC1.O=C(O)c1ccc2c(Cl)c[nH]c2c1>>CC(C)(C)OC(=O)N1CCC(COC[C@H](NC(=O)c2ccc3c(Cl)c[nH]c3c2)c2ccccc2)CC1 | 753 |
C1CCOC1.CC(=O)O.CC(=O)O[BH-](OC(C)=O)OC(C)=O.O=Cc1ccc(-c2nc3ccnn3cc2-c2ccccc2)cc1.[Na+].c1cc2nc(C3CCNCC3)[nH]c2cn1>>c1ccc(-c2cn3nccc3nc2-c2ccc(CN3CCC(c4nc5ccncc5[nH]4)CC3)cc2)cc1 | 567 |
C1CCC2=NCCCN2CC1.CC#N.CC(C)(C)ON=C1CNCC1CN.Cl.Cl.O=C(O)c1cn(-c2ccc(F)cc2F)c2nc(F)c(F)cc2c1=O>>CC(C)(C)ON=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CC1CN | 756 |
COc1cc2ncnc(Cl)c2cc1OC.O=C(Cc1ccccc1)Nc1ccc2cc(O)ccc2c1>>COc1cc2ncnc(Oc3ccc4cc(NC(=O)Cc5ccccc5)ccc4c3)c2cc1OC | 890 |
CCC[C@H](N[C@@H](C)C(=O)N1C2CCC(CC2)[C@H]1C(N)=O)C(=O)OCC.Cl.[Na+]~[OH-]>>CCC[C@H](N[C@@H](C)C(=O)N1C2CCC(CC2)[C@H]1C(N)=O)C(=O)O | 7 |
CS(C)=O.Cl[Pd]Cl.O=C([O-])[O-].OB(O)c1ccc(C(F)(F)F)cc1.[Fe+2].[K+].[K+].[O-][n+]1ccc(Cl)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1>>[O-][n+]1ccc(-c2ccc(C(F)(F)F)cc2)cc1 | 947 |
C1COCCO1.CC(C)(C)OC(=O)CCN~Cl.CCOC(C)=O.Fc1ccc(F)c(C(Sc2ccc(Cl)cc2)c2cc(Cl)ncc2Cl)c1.O=C([O-])[O-]~[K+]~[K+]>>CC(C)(C)OC(=O)CCNc1cc(C(Sc2ccc(Cl)cc2)c2cc(F)ccc2F)c(Cl)cn1 | 70 |
CC(=O)OC(C)=O.N[C@@H]1C[C@H](CO)N(C2=NC(=O)C(=Cc3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)S2)C1>>CC(=O)N[C@@H]1C[C@H](CO)N(C2=NC(=O)C(=Cc3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)S2)C1 | 339 |
CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CNCC2.CN1CCC(=O)CC1.O=C(O)C(F)(F)F>>CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCN(C)CC1)CC2 | 187 |
C1CCOC1.CN(C)C=O.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ncnc2[nH]cc(I)c12.[H-].[Na+]>>Cc1ccc(S(=O)(=O)n2cc(I)c3c(C)ncnc32)cc1 | 354 |
BrCc1ccccc1.CC(C)=O.O=C(O)C1(Cl)CC1(Cl)Cl.O=C([O-])[O-]~[K+]~[K+]>>O=C(OCc1ccccc1)C1(Cl)CC1(Cl)Cl | 403 |
C(=NC1CCCCC1)=NC1CCCCC1.CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)O.CCN1CCOCC1.CN(C)C=O.COC(=O)[C@@H](N)Cc1ccc(O)cc1.Cl.On1nnc2ccccc21>>COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C | 129 |
CON=Cc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1.ClCCl.O=[Cr](=O)([O-])Cl~c1cc[nH+]cc1>>CON=Cc1c(C(C)C)nc(C(C)C)c(C=O)c1-c1ccc(F)cc1 | 520 |
C1CCOC1.CO.COC(=O)c1ccc2c(c1)OCCN(C(=O)C1OC3(CCN(C(=O)OC(C)(C)C)CC3)c3ccccc31)C2.NO.[Na+].[OH-]>>CC(C)(C)OC(=O)N1CCC2(CC1)OC(C(=O)N1CCOc3cc(C(=O)NO)ccc3C1)c1ccccc12 | 988 |
C1COCCO1.Nc1nc(Cl)cc(NCCc2ccc(Cl)cc2)n1.O.O=C([O-])[O-].OB(O)c1cccc(C(F)(F)F)c1.[K+].[K+]>>Nc1nc(NCCc2ccc(Cl)cc2)cc(-c2cccc(C(F)(F)F)c2)n1 | 884 |
CC(C)(C)OC(=O)NC1CCN(CCN2C(=O)COc3c(F)cc(F)cc32)CC1.N#Cc1ccc2ccc(=O)n(CCN3CCC(N)CC3)c2c1>>NC1CCN(CCN2C(=O)COc3c(F)cc(F)cc32)CC1 | 538 |
CCN(C(C)C)C(C)C.CCN(CC)CCN.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.Cc1[nH]c(C=C2C(=O)Nc3cc(NC(=O)c4ccccc4)ccc32)c(C)c1C(=O)O.F[P-](F)(F)(F)(F)F>>CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3cc(NC(=O)c4ccccc4)ccc32)c1C | 674 |
C1CCOC1.C1CCOC1.CC(C)C[Al+]CC(C)C.CCOC(=O)N1c2ccc(OC)nc2[C@@H](Nc2ncc(-c3cncc(C=O)c3)c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C[C@H]1CC.[Cl-].[H-].[NH4+]>>CCOC(=O)N1c2ccc(OC)nc2[C@@H](Nc2ncc(-c3cncc(CO)c3)c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C[C@H]1CC | 476 |
CN(C)S(=O)(=O)c1cccc(C(=O)O)c1.Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(O)c1>>Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(OC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 | 355 |
CCC1(CC)OC(=O)N(CCC(C)(C)NCC(O)c2ccc(OCc3ccccc3)c(NS(C)(=O)=O)c2)c2ccc(F)cc21~O=C(O)C(F)(F)F.CO.[H][H].[Ni]>>CCC1(CC)OC(=O)N(CCC(C)(C)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(F)cc21 | 23 |
CCN(CC)CC.CS(C)=O.ClCCl.OCCC1CCN(CCOCCc2ccccc2)CC1>>O=CCC1CCN(CCOCCc2ccccc2)CC1 | 142 |
C(=NC1CCCCC1)=NC1CCCCC1.ClCCl.N#CCC(=O)O.Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl>>N#CCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl | 108 |
C=CCBr.CN(C)C=O.O=C([O-])[O-].[K+].[K+].c1ccc2c(c1)CC[C@@H]1CNCC[C@@H]21>>C=CCN1CC[C@H]2c3ccccc3CC[C@@H]2C1 | 252 |
B~C1CCOC1.C1CCOC1.CCC(=O)N1CC(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)C1>>CCCN1CC(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)C1 | 112 |
CCN1CCOCC1.CCN=C=NCCCN(C)C~Cl.ClCCl.NCc1cccc(C(F)(F)F)c1Cl.O=C(O)C1COCC(=O)N1Cc1ccccc1.On1nnc2ccccc21>>O=C(NCc1cccc(C(F)(F)F)c1Cl)C1COCC(=O)N1Cc1ccccc1 | 797 |
Subsets and Splits