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stringlengths 25
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CCCCN(CCCC)CCCC~Cl.Cc1ccc(Oc2ccc(C(=O)CNC(C)(C)C)cc2Oc2ccc(C)cc2)cc1~Cl.[BH4-]~[Na+]>>Cc1ccc(Oc2ccc(C(O)CNC(C)(C)C)cc2Oc2ccc(C)cc2)cc1 | 24 |
CN(C)C=O.N#CCBr.O=C([O-])[O-]~[K+]~[K+].Oc1cccc2c1c1cccc3c1n2[C@H](c1ccccc1)CO3>>N#CCOc1cccc2c1c1cccc3c1n2[C@H](c1ccccc1)CO3 | 802 |
CCOC(=O)c1cn(-c2ccc3[nH]c(=O)[nH]c3c2)c(=O)[nH]c1=O.CN(C)C=O.FC(F)(F)c1cccc(CBr)c1Cl.O.O=C([O-])[O-].[I-].[K+].[K+].[K+]>>CCOC(=O)c1cn(-c2ccc3[nH]c(=O)[nH]c3c2)c(=O)n(Cc2cccc(C(F)(F)F)c2Cl)c1=O | 389 |
C1CCOC1.CO.COC(=O)Cc1cc(I)ccc1OC.O.[Li+].[OH-]>>COc1ccc(I)cc1CC(=O)O | 88 |
CCN(CC)CC.CN(C)C(=O)N(CCO)CCCc1ccc(C#N)cc1.CS(C)=O.ClCCl.O=C(Cl)C(=O)Cl>>CN(C)C(=O)N(CC=O)CCCc1ccc(C#N)cc1 | 142 |
CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.CN(C)CCOc1ccc(N)cc1.COc1ccc(OC)c(CN(C(=O)Oc2c(C)cccc2C)c2ccnc(Cl)n2)c1.O.O=C([O-])[O-].[Na+].[Na+]>>COc1ccc(OC)c(CN(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCN(C)C)cc3)n2)c1 | 907 |
CCN(CC)CC.CCN=C=NCCCN(C)C.CCOc1ccc(C(=O)NCCN)cc1.Cl.Cl.ClCCl.O.O=C(O)c1c[nH]nc1C(F)(F)F.On1nnc2ccccc21>>CCOc1ccc(C(=O)NCCNC(=O)c2c[nH]nc2C(F)(F)F)cc1 | 621 |
CC(C)CCI.CC1(C)[C@@H]2CC[C@@]1(C)c1[nH]n(-c3ccc(F)cc3Cl)c(=O)c12.CN(C)C=O>>CC(C)CCn1c2c(c(=O)n1-c1ccc(F)cc1Cl)[C@H]1CC[C@]2(C)C1(C)C | 346 |
CCOC(=O)C1Cc2cc(-c3cc(NCCc4ccc(Cl)cc4Cl)nc(OC)n3)ccc2N1C.CO~O.O.O~[Li+]~[OH-]>>COc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2ccc3c(c2)CC(C(=O)O)N3C)n1 | 7 |
CI.CN(C)C=O.Cc1c(Cn2c(C)nc3c(CO)cc(N4CCOCC4)cc32)cccc1C(F)(F)F.O.[H-]~[Na+]>>COCc1cc(N2CCOCC2)cc2c1nc(C)n2Cc1cccc(C(F)(F)F)c1C | 140 |
CC(C)CC(=O)Cl.Cc1ccc2c(c1C)OC(C(=O)O)C2.Cl.ClCCl.[Al+3].[Cl-].[Cl-].[Cl-]>>Cc1c(C(=O)CC(C)C)cc2c(c1C)OC(C(=O)O)C2 | 31 |
C1CCOC1.CCO.NN.O.O=C1c2ccccc2C(=O)N1CC(Nc1cccc([N+](=O)[O-])c1)C(F)(F)F>>NCC(Nc1cccc([N+](=O)[O-])c1)C(F)(F)F | 242 |
CO.Cl.O.O=C1CCCc2cc(O)ccc21.O=Cc1ccc(O)cc1>>O=C1C(=Cc2ccc(O)cc2)CCc2cc(O)ccc21 | 85 |
CO.CON=C(COc1cccc(C(F)(F)F)c1)Cn1cnc2cc([N+](=O)[O-])c(C)cc21.[Pd]>>CON=C(COc1cccc(C(F)(F)F)c1)Cn1cnc2cc(N)c(C)cc21 | 1 |
CN(C)C=O.Cl.O.O=[N+]([O-])c1ccc(C=CC=Cc2ccc(C=CC=Cc3ccc([N+](=O)[O-])cc3)cc2)cc1.[Fe].[Na+]~[OH-]>>Nc1ccc(C=CC=Cc2ccc(C=CC=Cc3ccc(N)cc3)cc2)cc1 | 204 |
CC(=O)Cl.CCCCCC~CCOC(C)=O.N#Cc1cccc(C(=O)c2[nH]c3cc(Cl)ccc3c2N)c1>>CC(=O)Nc1c(C(=O)c2cccc(C#N)c2)[nH]c2cc(Cl)ccc12 | 422 |
C1CCC2=NCCCN2CC1.Cl~c1ncn(C2CCNC2)n1.O=C(O)c1cn(C2CC2)c2c(F)c(F)c(F)cc2c1=O.c1ccncc1>>O=C(O)c1cn(C2CC2)c2c(F)c(N3CCC(n4cncn4)C3)c(F)cc2c1=O | 676 |
CN(C)C=O.Cl~ClCCN1CCCC1.O=C([O-])[O-]~[Cs+]~[Cs+].O=[N+]([O-])c1ccc(O)c(Cl)c1>>O=[N+]([O-])c1ccc(OCCN2CCCC2)c(Cl)c1 | 74 |
CO.COc1cc(Br)cc(F)c1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.CS(C)=O.Cl.c1ccncc1>>CN(c1ccc(-c2c(O)cc(Br)cc2F)nn1)C1CC(C)(C)NC(C)(C)C1 | 48 |
NCCCc1ccccc1.O=C(O)c1ccc(Nc2ccccc2)nc1>>O=C(NCCCc1ccccc1)c1ccc(Nc2ccccc2)nc1 | 674 |
Cc1ccc(S(=O)(=O)OCCc2ccccc2[N+](=O)[O-])cc1.Cl~c1ccc2c(N3CCNCC3)nsc2c1>>O=[N+]([O-])c1ccccc1CCN1CCN(c2nsc3ccccc23)CC1 | 429 |
COC(=O)COc1ccc(CC(C)=O)cc1.NCC(O)c1ccccc1>>COC(=O)COc1ccc(CC(C)NCC(O)c2ccccc2)cc1 | 236 |
CCN1CC=C(c2c[nH]c3ccc(N)nc23)CC1.O=C(Cl)c1ccc(F)cc1>>CCN1CC=C(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)nc23)CC1 | 463 |
CC(C)C(=O)Cl.Cl.O=[N+]([O-])c1ccccc1.Oc1cc(O)cc(O)c1.S=C=S.[Al+3]~[Cl-]~[Cl-]~[Cl-].[Al]>>CC(C)C(=O)c1c(O)cc(O)cc1O | 31 |
BrCC1CCCCC1.CN(C)C=O.COC(=O)CCCc1ccc(O)c(-c2cc(CCCC(=O)OC)ccc2O)c1.O=C([O-])[O-].[Cu].[K+].[K+]>>COC(=O)CCCc1ccc(O)c(-c2cc(CCCC(=O)OC)ccc2OCC2CCCCC2)c1 | 75 |
CC1(C)CCC(C)(C)c2cc(C#Cc3ccc(C(=O)O)cc3)ccc21.CCC(C)=O.CCI.O=C([O-])[O-].[K+].[K+]>>CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1 | 196 |
COc1ncccc1NC(=O)Oc1ccccc1.c1ccc(N2CCNCC2)cc1>>COc1ncccc1NC(=O)N1CCN(c2ccccc2)CC1 | 525 |
CCC1(CC)OC(=O)N(CCC(C)(C)NCC(O)c2ccc(OCc3ccccc3)c(NS(C)(=O)=O)c2)c2c(OC)cccc21~O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F>>CCC1(CC)OC(=O)N(CCC(C)(C)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)c2c(OC)cccc21 | 23 |
CCNCC.COCCOCCOC.ClCCl.N#Cc1[nH]c(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1C(=O)O.[F-].[K+]>>CCN(CC)C(=O)c1nc(-c2c(Cl)cc(C(F)(F)F)cc2Cl)[nH]c1C#N | 729 |
CCC(C)c1ccc(N)cc1.CCOc1cc(C(C)(C)C)ncc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCC(CC(=O)O)CC1>>CCOc1cc(C(C)(C)C)ncc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCC(CC(=O)Nc2ccc(C(C)CC)cc2)CC1 | 365 |
CC(=O)OI1(OC(C)=O)(OC(C)=O)OC(=O)c2ccccc21.ClCCl.OCc1ccc2c(c1)-n1nc(-c3ncnn3CC(F)(F)F)cc1CCO2>>O=Cc1ccc2c(c1)-n1nc(-c3ncnn3CC(F)(F)F)cc1CCO2 | 179 |
CC(C)(C)OC(=O)Nc1cnc(Cl)c(Br)c1I.ClCCl.O=C(O)C(F)(F)F>>Nc1cnc(Cl)c(Br)c1I | 877 |
CC(C)=CCCC(C)CCO.CCOCC.CN(C)c1ccncc1.ClCCl.O=C1CCC(=O)O1.c1ccncc1>>CC(C)=CCCC(C)CCOC(=O)CCC(=O)O | 139 |
C1CCOC1.CC(C)N(CCN)C(C)C.CCN(CC)CC.CCNc1nc(-c2ccc(NC(=O)NCc3cccnc3)cc2)ccc1C(=O)O.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.F[P-](F)(F)(F)(F)F>>CCNc1nc(-c2ccc(NC(=O)NCc3cccnc3)cc2)ccc1C(=O)NCCN(C(C)C)C(C)C | 674 |
CN(C)C=O.COCCl.O.O=C([O-])[O-].Oc1ccccc1C(F)(F)F.[K+].[K+]>>COCOc1ccccc1C(F)(F)F | 375 |
Cc1nc(Cl)ccc1[N+](=O)[O-].FC1CCNC1>>Cc1nc(N2CCC(F)C2)ccc1[N+](=O)[O-] | 220 |
C=CCBr.CN(C)C=O.Cc1ccc(O)c(Cl)c1.O.O=C([O-])[O-].[K+].[K+]>>C=CCOc1ccc(C)cc1Cl | 77 |
CCn1ccnc(Br)c1=O.Cc1ccccc1.O.O=C([O-])[O-].OB(O)c1ccc(Cl)cc1.[Na+].[Na+]>>CCn1ccnc(-c2ccc(Cl)cc2)c1=O | 876 |
CC(=O)Nc1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C)c(CO)c2C)cn1.CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClC(Cl)Cl.O=C([O-])O.[Na+]>>CC(=O)Nc1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C)c(CCl)c2C)cn1 | 713 |
CC(C)(C)OC(=O)N1CCC(CCI)CC1.ClCCl.[Na+].[OH-].c1cc2c(s1)CCNC2>>CC(C)(C)OC(=O)N1CCC(CCN2CCc3sccc3C2)CC1 | 184 |
Nc1ccc2c(c1)S(=O)(=O)CC2.O.O=N[O-]~[Na+].[I-]~[K+]>>O=S1(=O)CCc2ccc(I)cc21 | 200 |
BrB(Br)Br.CCCCCC~CCOC(C)=O.COc1ccc(OC)c(C(=O)c2ccccc2CBr)c1.ClCCCl.ClCCl>>O=C(c1cc(O)ccc1O)c1ccccc1CBr | 20 |
CO.ClCCCl.NCCSC(c1ccccc1)c1ccccc1.O=C([O-])O.O=CC1CC1.[BH3-]C#N.[Na+].[Na+]>>c1ccc(C(SCCNCC2CC2)c2ccccc2)cc1 | 426 |
CC[N+](CC)(CC)Cc1ccccc1.ClCCCl.O=C(O)CCc1cccnc1.O=S(Cl)Cl.[Cl-]>>O=C(Cl)CCc1cccnc1 | 53 |
CCN(C(C)C)C(C)C.Cc1ccc(N=C=O)cc1.Nc1cc(N2CCNCC2)c2ccc(Cl)cc2n1>>Cc1ccc(NC(=O)N2CCN(c3cc(N)nc4cc(Cl)ccc34)CC2)cc1 | 323 |
C1COCCO1.Nc1ccc2ncn(C3CCN(Cc4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4)CC3)c2c1.O=C(Nc1ccncc1)Oc1ccccc1>>O=C(Nc1ccncc1)Nc1ccc2ncn(C3CCN(Cc4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4)CC3)c2c1 | 948 |
CCN(CC)CC.ClC(Cl)Cl.O=C(Cc1c(O)c2ccccc2c2nc3ccccc3nc12)NCCO.O=S(Cl)Cl>>O=C(Cc1c(O)c2ccccc2c2nc3ccccc3nc12)NCCCl | 96 |
CC(C)c1ccccc1N.COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(N2CCN(C)CC2)nc1OCCC(=O)O>>COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(N2CCN(C)CC2)nc1OCCC(=O)Nc1ccccc1C(C)C | 365 |
BrBr.CC(=O)O.CC(=O)[O-]~[Na+].O=C([O-])[O-]~[Na+]~[Na+].c1cnc2c(c1)CC1(CN3CCC1CC3)O2>>Brc1cnc2c(c1)CC1(CN3CCC1CC3)O2 | 292 |
CCOC(=O)c1ccc(Cc2ccccc2)[nH]1.CO.[Na+]~[OH-]>>O=C(O)c1ccc(Cc2ccccc2)[nH]1 | 171 |
COc1cccc(C(=O)O)c1C.NCC1(c2ccc(C(F)(F)F)nc2)CCC(F)(F)CC1>>COc1cccc(C(=O)NCC2(c3ccc(C(F)(F)F)nc3)CCC(F)(F)CC2)c1C | 334 |
C1COCCO1.CC(C)(C)OC(=O)N1CCCC1c1nc2c([nH]1)-c1ccc(Br)cc1CC2.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.[Cl-].[Cl-].[Fe+2].[Pd+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1>>CC(C)(C)OC(=O)N1CCCC1c1nc2c([nH]1)-c1ccc(B3OC(C)(C)C(C)(C)O3)cc1CC2 | 942 |
CC(=O)O.CCO.CCOC(=O)c1cnn(-c2cc(C)c([N+](=O)[O-])cn2)c1C.[C]~[Pd]>>CCOC(=O)c1cnn(-c2cc(C)c(N)cn2)c1C | 269 |
CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cc([N+](=O)[O-])c3[nH]ccc3c2)c(F)c1.CC(C)=O.O.[Cl-]~[NH4+].[Zn]>>CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cc(N)c3[nH]ccc3c2)c(F)c1 | 269 |
CC(=O)NC(C)(C)c1ccnc(C2CC2)n1.Cl.[Na+].[OH-]>>CC(C)(N)c1ccnc(C2CC2)n1 | 412 |
CCN(C(C)C)C(C)C.CCOC(=O)Cl.ClCCl.Nc1ccc(N2CCOCC2)c(F)c1.O>>CCOC(=O)Nc1ccc(N2CCOCC2)c(F)c1 | 102 |
CC(=O)O.CCO.COc1cccc([N+](=O)[O-])c1Br.O.O=C([O-])[O-].[Fe].[Na+].[Na+]>>COc1cccc(N)c1Br | 1 |
C#C[Si](C)(C)C.Ic1ccccc1I>>C[Si](C)(C)C#Cc1ccccc1I | 826 |
CCOc1cc(C2CC2)c(C2CC2)cc1CO.Cc1ccccc1.[Mn+4]~[O-2]~[O-2]>>CCOc1cc(C2CC2)c(C2CC2)cc1C=O | 179 |
CCCCc1nc(CC)n(Cc2ccccc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1.CCOC(C)=O.CS(C)=O.O=C([O-])O~[Na+].[Cl-]~[NH3+]O>>CCCCc1nc(CC)n(Cc2ccccc2)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 979 |
CC(=O)c1c(C=O)[nH]c(-c2ccncc2)c1C.CO.ClCCl.O.[BH4-]~[Na+]>>CC(=O)c1c(CO)[nH]c(-c2ccncc2)c1C | 745 |
C1CCOC1.C[Si](C)(C)[N-][Si](C)(C)C~[Li+].Cc1cccc(N)c1.O=C1NCCc2[nH]c(-c3cccc4ccc(Cl)nc34)cc21>>Cc1cccc(Nc2ccc3cccc(-c4cc5c([nH]4)CCNC5=O)c3n2)c1 | 434 |
CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3ccc(C#N)cc32)cc1.CCO.NO.O=C([O-])[O-].[K+].[K+]>>CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3ccc(C(N)=NO)cc32)cc1 | 400 |
CCO.CS(=O)(=O)Oc1c(Br)ccc2cc(OCc3ccccc3)ccc12.Cc1ccccc1.O.O=C([O-])[O-].OB(O)c1ccc(F)cc1.[Na+].[Na+]>>CS(=O)(=O)Oc1c(-c2ccc(F)cc2)ccc2cc(OCc3ccccc3)ccc12 | 837 |
CC(=O)c1ccc(C(=O)O)cc1.CN(C)C=O.O.O=Cc1ccc(F)c(-c2cccs2)c1.[Na+].[OH-]>>O=C(O)c1ccc(C(=O)/C=C/c2ccc(F)c(-c3cccs3)c2)cc1 | 656 |
CC(=O)N(C)C.CC(=O)Nc1cc(Cl)nc(Cl)n1.CCOc1cc(CN2CCC(N)CC2)ccc1OC>>CCOc1cc(CN2CCC(Nc3cc(NC(C)=O)nc(Cl)n3)CC2)ccc1OC | 166 |
CC(=O)O.CC(=O)OC(C)=O.COc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)CC2.O=[N+]([O-])O>>COc1cc2c(cc1[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC2 | 21 |
CN(C)C=O.COC(=O)C1=Cc2cc(O)ccc2S(=O)(=O)CC1.ClCc1ccccc1Cl.O.O=C([O-])[O-]~[K+]~[K+]>>COC(=O)C1=Cc2cc(OCc3ccccc3Cl)ccc2S(=O)(=O)CC1 | 49 |
CCO.Cc1cccn2c(=O)c([N+](=O)[O-])c(Cl)nc12.O.[Ca+2].[Cl-].[Cl-].[Fe]>>Cc1cccn2c(=O)c(N)c(Cl)nc12 | 660 |
CCOC(=O)C(=O)c1ccc(OCCCCC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1.CO.[Na+]~[OH-]>>CC(C)(C)c1cc(C(=O)CCCCOc2ccc(C(=O)C(=O)O)cc2)cc(C(C)(C)C)c1O | 472 |
COCC(=O)Cl.Cc1cc(-c2ncnc3c(C(=O)NC4CCNCC4)c(C)[nH]c23)c(OCC2CC2)cc1F.Cl>>COCC(=O)N1CCC(NC(=O)c2c(C)[nH]c3c(-c4cc(C)c(F)cc4OCC4CC4)ncnc23)CC1 | 125 |
CCc1ccc(C2CC(N)CN(C(=O)N3CCCC3)C2)cc1.O=C(O)C(F)(F)F.O=C=Nc1ccc(F)cc1>>CCc1ccc(C2CC(NC(=O)Nc3ccc(F)cc3)CN(C(=O)N3CCCC3)C2)cc1 | 35 |
C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.CCOCC.COc1cc(OC)cc(C(=CC#N)c2ccc(O[Si](C)(C)C(C)(C)C)c(OC)c2)c1.[F-]>>COc1cc(OC)cc(C(=CC#N)c2ccc(O)c(OC)c2)c1 | 754 |
C1CCNCC1.CCN=C=NCCCN(C)C~Cl.COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)O)c2)=C(C)C1=O.ClCCl>>COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)N3CCCCC3)c2)=C(C)C1=O | 44 |
Br~Br~Oc1ccc(-c2nc3n(c2-c2ccncc2)CCC3)cc1.CC(C)I.CCCOc1ccc(-c2nc3n(c2-c2ccncc2)CCC3)cc1.CN(C)C=O.[H-]~[Na+]>>CC(C)Oc1ccc(-c2nc3n(c2-c2ccncc2)CCC3)cc1 | 318 |
O.O=C([O-])[O-].O=C1Cc2cc(CCCl)c(Cl)cc2N1.[I-].[K+].[K+].[K+].c1ccc2c(N3CCNCC3)nsc2c1>>O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1 | 138 |
CS(C)=O.C[S-]~[Na+].O.O=C1c2ccccc2C(=O)N1CCCBr>>CSCCCN1C(=O)c2ccccc2C1=O | 185 |
COc1cc(C)nc(N)n1.ClCCl.O=C=NS(=O)(=O)c1cccc2c1COC2>>COc1cc(C)nc(NC(=O)NS(=O)(=O)c2cccc3c2COC3)n1 | 566 |
C1CCOC1.CC(=O)O.CCCCNC(=O)N(C)c1cccc(-c2ccc(/C=C(\OCC)C(=O)OCC)cc2)c1.[Li+].[OH-]>>CCCCNC(=O)N(C)c1cccc(-c2ccc(/C=C(\OCC)C(=O)O)cc2)c1 | 122 |
C1CCOC1.CCOCCOc1ccccc1COc1ccc2c(c1)C=C(C(=O)OC)CCS2(=O)=O.CO.O=C([O-])[O-].[K+].[K+]>>CCOCCOc1ccccc1COc1ccc2c(c1)C=C(C(=O)O)CCS2(=O)=O | 58 |
CCCC(=O)Cl.Nc1n[nH]c2c(F)c(C(F)(F)F)ccc12.c1ccncc1>>CCCC(=O)Nc1n[nH]c2c(F)c(C(F)(F)F)ccc12 | 527 |
CN(C)C=O.COC(=O)CCc1ccc(CCBr)cc1.Fc1ccc(Cn2c(N3CCCNCCC3)nc3ccccc32)cc1.O=C([O-])[O-].[I-].[K+].[Na+].[Na+]>>COC(=O)CCc1ccc(CCN2CCCN(c3nc4ccccc4n3Cc3ccc(F)cc3)CCC2)cc1 | 73 |
Brc1ccc(-c2cn[nH]c2)cc1.CCOC(C)=O.CN(C)C=O.COCCBr.O=C([O-])[O-]~[Cs+]~[Cs+]>>COCCn1cc(-c2ccc(Br)cc2)cn1 | 577 |
CO.COC(=O)c1ccc(I)cc1C.ClCCl.[Na+]~[OH-]>>Cc1cc(I)ccc1C(=O)O | 247 |
Brc1ccccc1.C1CCOC1.CC(=O)[O-].CC(=O)[O-].CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.C[C@H](N)CC#N.Cc1ccccc1.ClCCl.O=C([O-])[O-].OB(O)c1ccccc1.[Cs+].[Cs+].[Pd+2]>>C[C@@H](CC#N)Nc1ccccc1 | 519 |
CC(C)(C)OC(=O)N1CCC(C(O)c2ccc(Br)cc2)CC1.CN(C)C=O.Clc1cccc(Cl)n1.[H-].[Na+]>>CC(C)(C)OC(=O)N1CCC(C(Oc2cccc(Cl)n2)c2ccc(Br)cc2)CC1 | 433 |
C1CCOC1.CC(C)C[Al+]CC(C)C.Cc1ccccc1.O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1cccc(C(F)(F)F)c1.[H-]>>O=C(Nc1ccc(Cl)c(CO)c1)c1cccc(C(F)(F)F)c1 | 72 |
CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H]2[C@H](Oc3nc4cc(Cl)c(-c5ccc([C@@H]6CC[C@H](N)CC6)cc5)nc4n3COCC[Si](C)(C)C)CO[C@@H]21.CCN(CC)CC.COC(=O)Cl.ClCCl>>COC(=O)N[C@@H]1CC[C@H](c2ccc(-c3nc4c(cc3Cl)nc(O[C@@H]3CO[C@H]5[C@@H]3OC[C@H]5O[Si](C)(C)C(C)(C)C)n4COCC[Si](C)(C)C)cc2)CC1 | 94 |
C1CCOC1.CCO.COC(=O)c1ccc(C#N)cc1S(C)(=O)=O.[BH4-]~[Na+].[Ca+2]~[Cl-]~[Cl-]>>CS(=O)(=O)c1cc(C#N)ccc1CO | 444 |
BrB(Br)Br.COc1c2c(c(C(=O)N(C)C)n(-c3ccc(C)cc3)c1=O)CCN(Cc1ccc(F)c(Cl)c1)C2=O.ClCCl>>Cc1ccc(-n2c(C(=O)N(C)C)c3c(c(O)c2=O)C(=O)N(Cc2ccc(F)c(Cl)c2)CC3)cc1 | 424 |
CC(C)(C)OC(=O)N1CCC2(CC2)CC1C(=O)O.CCOCC.CCOCC.CO.C[Si](C)(C)C=[N+]=[N-]>>COC(=O)C1CC2(CCN1C(=O)OC(C)(C)C)CC2 | 195 |
CCn1c2s[nH]c(=O)c2c(=O)c2cc(F)c(F)c(OC(F)F)c21.c1cnc(N2CCNCC2)nc1>>CCn1c2s[nH]c(=O)c2c(=O)c2cc(F)c(N3CCN(c4ncccn4)CC3)c(OC(F)F)c21 | 676 |
Nc1ccncc1.O=C(O)c1cc(NC2CCCCC2)ncn1>>O=C(Nc1ccncc1)c1cc(NC2CCCCC2)ncn1 | 548 |
CC(C)(C)OC(=O)NC[C@@H]1CNC[C@H]1C(F)(F)F.Cl.ClCCl.O=C(O)C(F)(F)F>>NC[C@@H]1CNC[C@H]1C(F)(F)F | 538 |
CC(C)(C)OC(=O)Nc1cccc(O)c1.CC(C)OC(=O)/N=N/C(=O)OC(C)C.Cc1ccccc1.OCCCN(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1>>CC(C)(C)OC(=O)Nc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1 | 478 |
CC(=O)N(C)C.CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.O=C(COC1CCNCC1)N1CCCC1.O=C(O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F>>O=C(COC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1)N1CCCC1 | 44 |
CO.COC(=O)CC(C)O[Si](C)(C)C(C)(C)C.[K+]~[OH-]>>CC(CC(=O)O)O[Si](C)(C)C(C)(C)C | 88 |
CC(=O)Nc1cccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1.Cl.[Na+]~[OH-]>>Nc1cccc(OCCCN2CCC(c3noc4cc(F)ccc34)CC2)c1 | 66 |
COC(=O)c1ncc(Cl)nc1N.O=C([O-])[O-]~[Cs+]~[Cs+].OCC(F)(F)F.[Cl-]~[NH4+]>>COC(=O)c1ncc(OCC(F)(F)F)nc1N | 209 |
C1CCOC1.CCOC(C)=O.CN1CCCC1=O.COc1cccc2c1-c1nc(N)nc(-c3ccc(F)cc3)c1C2=O.O.[Cl-].[Li+]>>Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1c(O)cccc1C2=O | 48 |
Subsets and Splits