smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
BrC1=CC=C2C(=NNC2=C1)NC(CCC)=O>CC#N.F[B-](F)(F)F.O=[N+]=O>BrC1=CC=C2C(=NNC2=C1[N+](=O)[O-])NC(CCC)=O | 3 |
CC1(C)[O:6][CH:5]([CH2:7][O:8][C:9]2[CH:14]=[CH:13][C:12]([C:15](=[O:24])[CH2:16][C:17](=O)[C:18]([O:20][CH2:21][CH3:22])=[O:19])=[CH:11][CH:10]=2)[CH2:4][O:3]1.Cl.[NH2:27]O>C(O)C.CCOC(C)=O>[OH:6][CH:5]([CH2:4][OH:3])[CH2:7][O:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]2[O:24][N:27]=[C:17]([C:18]([O:20][CH2:21][CH3:22])=[O:19... | 2 |
[F:1][C:2]1[C:3]([C:34]([F:37])([F:36])[F:35])=[C:4]([CH:9]2[CH2:14][CH2:13][N:12]([C:15]([C:17]3[C:25]4[CH2:24][CH2:23][N:22]([CH2:26][C:27]([O:29]C(C)(C)C)=[O:28])[CH2:21][C:20]=4[NH:19][N:18]=3)=[O:16])[CH2:11][CH2:10]2)[CH:5]=[CH:6][C:7]=1[F:8].C(O)(C(F)(F)F)=O>>[F:1][C:2]1[C:3]([C:34]([F:35])([F:36])[F:37])=[C:4](... | 1 |
S1C(=CC2=CN=C3NC=CC3=C12)C(=O)O.NC=1C=C(C(=O)NC2=CC(=CC=C2)C(F)(F)F)C=CC1>>FC(C=1C=C(C=CC1)NC(=O)C=1C=C(C=CC1)NC(=O)C=1SC2=C3C=CNC3=NC=C2C1)(F)F | 5 |
C1(=CC=CC=C1)C1(CCCC1)C1=NN=C(O1)C(=O)O.O(C1=CC=CC=C1)CC1CNCCC1>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>O(C1=CC=CC=C1)CC1CN(CCC1)C(=O)C=1OC(=NN1)C1(CCCC1)C1=CC=CC=C1 | 3 |
C(C)SC(=O)C1C(N(C2=CC=C(C=C2C1)C1=CC=C(C=C1)C(F)(F)F)C(=O)OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>O=C1NC2=CC=C(C=C2CC1C(SCC)=O)C1=CC=C(C=C1)C(F)(F)F | 3 |
FC(C(C#C)(C)C)(F)F.BrC=1C(=C(C=CC1)N(C1=NC=2N(C3=CC=C(C=C13)F)C=NN2)CC(F)F)F>N(C)(C)C=O.[Br-].[Zn+2].[Br-].CCN(CC)CC.C(C)(=O)OCC.[Cl-].[NH4+].Cl[Pd]Cl.C1(=CC=CC=C1)P([C-]1C=CC=C1)C1=CC=CC=C1.[C-]1(C=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.[Fe+2]>FC(CN(C1=NC=2N(C3=CC=C(C=C13)F)C=NN2)C2=C(C(=CC=C2)C#CC(C(F)(F)F)(C)C)F)F | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.Cl(=O)(=O)(=O)[O-].[Mg+2].Cl(=O)(=O)(=O)[O-].OC1CC(C1)C(=O)OC>ClCCl>C(C)(C)(C)OC1CC(C1)C(=O)OC | 3 |
C(C)(C)(C)OC(=O)NC1CCN(CC1)C(=O)C1=CC=C(C(=O)OC)C=C1>>Cl.Cl.NC1CCN(CC1)C(=O)C1=CC=C(C(=O)OC)C=C1 | 5 |
C([C:3]1[N:4]([CH:27]2[CH2:29][CH2:28]2)[C:5]2[C:10]([C:11](=[O:16])[C:12]=1[C:13]([OH:15])=[O:14])=[CH:9][C:8]([F:17])=[C:7]([C:18]1[CH:23]=[C:22]([CH3:24])[N:21]=[C:20]([CH2:25]Cl)[CH:19]=1)[CH:6]=2)C.[CH3:30][O-:31].[Na+]>CO>[CH:27]1([N:4]2[C:5]3[C:10](=[CH:9][C:8]([F:17])=[C:7]([C:18]4[CH:23]=[C:22]([CH3:24])[N:21]... | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC=1C=C2C=NNC2=CC1>C1(=CC=NC=C1)N(C)C.ClCCl>BrC=1C=C2C=NN(C2=CC1)C(=O)OC(C)(C)C | 3 |
ClC1=C(C(=CC=C1)Cl)S(=O)(=O)N>S(O)(O)(=O)=O.[N+](=O)(O)[O-]>ClC1=C(C(=CC=C1[N+](=O)[O-])Cl)S(=O)(=O)N | 3 |
C(C)OC(C(=CC1=CC=C(C=C1)OCC1=CC=CC=C1)N=[N+]=[N-])=O>>C(C)OC(=O)C=1NC2=CC(=CC=C2C1)OCC1=CC=CC=C1 | 5 |
[NH2:1][C:2]1[C:7](=[O:8])[N:6]([CH2:9][C:10]([NH:12][CH:13]([CH:20]([CH3:22])[CH3:21])[C:14](=[O:19])[C:15]([F:18])([F:17])[F:16])=[O:11])[C:5]([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)=[N:4][CH:3]=1.ClS([N:33]=[C:34]=[O:35])(=O)=O.C(=O)([O-])[O-].[Na+].[Na+]>O1CCCC1.C(OCC)(=O)C>[O:8]=[C:7]1[N:6]([CH2:9][C:10]([... | 1 |
FC1=C2C=3N(C(CNC3C=C1)=O)CC2(CO)O>>FC1=C2C=3N(C(C=NC3C=C1)=O)CC2(CO)O | 5 |
Br[C:2]1[CH:7]=[CH:6][C:5]([CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])=[CH:4][CH:3]=1.[F:13][C:14]1[C:19](B(O)O)=[CH:18][CH:17]=[C:16]([C:23]2[CH:28]=[CH:27][C:26]([CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])=[CH:25][CH:24]=2)[N:15]=1.C(O)C.C(=O)([O-])[O-].[Na+].[Na+]>C1(C)C=CC=CC=1.O.C1C=CC([P... | 1 |
C(#N)C1=CC=C(C=C1)S(=O)(=O)Cl.Cl.NCCC1CCC(CC1)CC(=O)OCC>ClCCl.CCN(CC)CC>C(#N)C1=CC=C(C=C1)S(=O)(=O)NCCC1CCC(CC1)CC(=O)OCC | 3 |
C(C(C)C)(=O)CC(=O)OC.ClC1=C(C(=CC=C1)Cl)CC(=NO)Cl>>ClC1=C(C(=CC=C1)Cl)CC1=NOC(=C1C(=O)OC)C(C)C | 5 |
C[O:2][C:3]1[N:8]=[CH:7][C:6]([C:9]2[N:18]=[C:17]([N:19]3[CH2:24][CH2:23][O:22][CH2:21][CH2:20]3)[C:16]3[C:11](=[C:12]4[CH:27]=[CH:26][N:25]([CH3:28])[C:13]4=[CH:14][CH:15]=3)[N:10]=2)=[CH:5][CH:4]=1.CO>Cl>[CH3:28][N:25]1[C:13]2=[CH:14][CH:15]=[C:16]3[C:11]([N:10]=[C:9]([C:6]4[CH:5]=[CH:4][C:3]([OH:2])=[N:8][CH:7]=4)[N... | 2 |
C(=C)C1=CC=C(C=C1)S(=O)(=O)Cl.C(C)C1=CC=C(NCC(C)C)C=C1>c1ccncc1>C(C)C1=CC=C(C=C1)N(S(=O)(=O)C1=CC=C(C=C1)C=C)CC(C)C | 3 |
[Br:1][C:2]1[CH:11]=[C:10]2[C:5]([C:6]([NH:13][CH2:14][CH2:15][CH2:16][CH:17]([O:20][CH3:21])[O:18][CH3:19])=[C:7]([NH2:12])[CH:8]=[N:9]2)=[CH:4][CH:3]=1.C(O[CH:25](OCC)[CH2:26][CH2:27][CH2:28]NC1C2C(=CC=CC=2)N=C(N)C=1)C.C(OC)(OC)(OC)CCC.S(C1C=CC(C)=CC=1)([O-])(=O)=O.[NH+]1C=CC=CC=1>>[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[C:6... | 1 |
ClCC1OC1.OC1=CC=C(C=C1)C=1N=C2N(C=CC=C2C)C1>CO[H].ClCCl.[OH-].[K+]>O1C(COC2=CC=C(C=C2)C=2N=C3N(C=CC=C3C)C2)C1 | 3 |
C(CCCCC)[N+](=O)[O-].C1(=CC=CC=C1)CCCCCC(=O)O>>[N+](=O)([O-])C(C(CCCCCC1=CC=CC=C1)=O)CCCCC | 5 |
[CH2:1]([C:9]1[CH:14]=[CH:13][C:12]([CH2:15][NH2:16])=[CH:11][CH:10]=1)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8].C([O:24][CH2:25][CH2:26][C@H:27]([NH:31]C(OC(C)(C)C)=O)[C:28](O)=[O:29])C1C=CC=CC=1>>[NH2:31][C@@H:27]([CH2:26][CH2:25][OH:24])[C:28]([NH:16][CH2:15][C:12]1[CH:11]=[CH:10][C:9]([CH2:1][CH2:2][CH2:3][... | 2 |
[CH:1]([O:4][C:5]1([C:8]2[CH:13]=[CH:12][C:11]([C:14]#[C:15][C:16]3[CH:26]=[CH:25][C:19]([C:20]([O:22][CH2:23][CH3:24])=[O:21])=[CH:18][CH:17]=3)=[CH:10][CH:9]=2)[CH2:7][CH2:6]1)([CH3:3])C.CO[C:29](=O)[CH2:30][C:31]1C=CC(I)=[CH:33][CH:32]=1>C(N(CC)CC)C.[Cu]I.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=C... | 1 |
C(C)(C)(C)OC(=O)N1CC2(CC1=O)CCC(CC2)(C2=CC=CC=C2)N(C)C>ClCCl.C(=O)(C(F)(F)F)O>CN(C1(CCC2(CNC(C2)=O)CC1)C1=CC=CC=C1)C | 3 |
C1C(CCC2=CC=CC=C12)C(=O)O>>OCC1CC2=CC=CC=C2CC1 | 5 |
[Si](C)(C)(C(C)(C)C)OCC=1C=C(C=CC1CO[Si](C)(C)C(C)(C)C)CCC=1C=C(C=CC1)/C(=C/CO)/CC>>[Si](C)(C)(C(C)(C)C)OCC=1C=C(C=CC1CO[Si](C)(C)C(C)(C)C)CCC=1C=C(C=CC1)/C(=C/C=O)/CC | 5 |
C(C(=O)OCC)(C(=O)OCC)C(=O)OCC.FC(C1=CC=C(C=C1)C1NC2=C(OC1)C=CC=C2)(F)F>>OC1=C(C(N2C3=C(C=CC=C13)OCC2C2=CC=C(C=C2)C(F)(F)F)=O)C(=O)OCC | 3 |
Cl[C:2]1[N:7]=[C:6]([NH:8][CH2:9][CH:10]2[CH2:15][CH2:14][O:13][CH2:12][CH2:11]2)[CH:5]=[N:4][C:3]=1[C:16]([F:19])([F:18])[F:17].[Cl:20][C:21]1[C:22](B(O)O)=[CH:23][C:24]([F:27])=[N:25][CH:26]=1.C(=O)([O-])[O-].[Na+].[Na+].B(O)O>COCCOC>[Cl:20][C:21]1[C:22]([C:2]2[N:7]=[C:6]([NH:8][CH2:9][CH:10]3[CH2:15][CH2:14][O:13][C... | 1 |
C(C1=CC=CC=C1)Br.N1CC(CC2=CC=CC=C12)NC(OC(C)(C)C)=O>CCO[H].C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)N1CC(CC2=CC=CC=C12)NC(OC(C)(C)C)=O | 3 |
C(CCC)[Sn](C=1OC=CN1)(CCCC)CCCC.BrC1=CC2=C(NC3=C2C=C(N=C3)C#N)N=C1>>O1C(=NC=C1)C1=CC2=C(NC3=C2C=C(N=C3)C#N)N=C1 | 5 |
CC=1C=CC(NC1)=O.OCCC1=CC=C(CN2CCN(CC2)C(=O)OC(C)(C)C)C=C1>C1CCCO1.C(CCC)P(CCCC)CCCC.C1CCN(CC1)C(=O)N=NC(=O)N2CCCCC2>CC=1C=CC(=NC1)OCCC1=CC=C(CN2CCN(CC2)C(=O)OC(C)(C)C)C=C1 | 3 |
NC=1SC2=NC(=CC=C2N1)OC=1C=C(C=CC1OC)NC(C1=CC(=CC=C1)C1(CC1)C#N)=O.Cl.Cl.CN1CCN(CC1)CC(=O)O>C1(=CC=NC=C1)N(C)C.c1ccncc1.Cl.C(C)N=C=NCCCN(C)C>C(#N)C1(CC1)C=1C=C(C(=O)NC2=CC(=C(C=C2)OC)OC2=CC=C3C(=N2)SC(=N3)NC(CN3CCN(CC3)C)=O)C=CC1 | 3 |
BrCC(C(=O)OCC)=O.BrC=1C(=NC=C(C1)OC)N>O.COCCOC.C(O)([O-])=O.[Na+]>BrC=1C=2N(C=C(C1)OC)C=C(N2)C(=O)OCC | 3 |
COCOC1=CC=CC2=C1C1(CC1)COC2>>C12(CC1)COCC=1C2=C(C=CC1)O | 5 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5](I)=[CH:4][CH:3]=1.Br[C:10]([F:17])([F:16])[C:11]([O:13][CH2:14][CH3:15])=[O:12].C(=O)(O)[O-].[Na+]>CS(C)=O.[Cu]>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:10]([F:17])([F:16])[C:11]([O:13][CH2:14][CH3:15])=[O:12])=[CH:4][CH:3]=1 | 2 |
[Cl:1][C:2]1[N:7]=[C:6](Cl)[C:5]([N+:9]([O-:11])=[O:10])=[CH:4][N:3]=1.[NH2:12][C:13]1[CH:21]=[C:20]2[C:16]([C:17]([CH3:24])([CH3:23])[C:18](=[O:22])[NH:19]2)=[CH:15][CH:14]=1>O1CCOCC1>[Cl:1][C:2]1[N:7]=[C:6]([NH:12][C:13]2[CH:21]=[C:20]3[C:16]([C:17]([CH3:24])([CH3:23])[C:18](=[O:22])[NH:19]3)=[CH:15][CH:14]=2)[C:5]([... | 2 |
Cl.COC1=CC=C(CN2CCNCC2)C=C1>>Br.Br.OC1=CC=C(CN2CCNCC2)C=C1 | 5 |
FC(C=1C=C(C(=O)N2[C@@H](CN(CC2)CC#CCN2C[C@H](OCC2)COC)CC2=CC(=C(C=C2)C)O)C=C(C1)C(F)(F)F)(F)F>CO[H].[HH].[Pd].CC(=O)[O-].CC(=O)[O-].[Pb+2]>FC(C=1C=C(C(=O)N2[C@@H](CN(CC2)C\C=C/CN2C[C@H](OCC2)COC)CC2=CC(=C(C=C2)C)O)C=C(C1)C(F)(F)F)(F)F | 3 |
C(C)(C)(C)C=1C=C(N)C=CC1.C(C)(C)(C)OC(=O)NC1=NC=CC(=C1)OC=1C=C(C=CC1)CCC(=O)O>C1(=CC=NC=C1)N(C)C.ClCCl.CCN=C=NCCCN(C)C>C(C)(C)(C)C=1C=C(C=CC1)NC(CCC=1C=C(OC2=CC(=NC=C2)NC(OC(C)(C)C)=O)C=CC1)=O | 3 |
NC1=CC=C(C=C1)O.C(C)(=O)NC1=CC=C(C(=O)O)C=C1>O.C1CCCO1.c1ccncc1.CCN(CC)CC.C(C(C)C)OC(=O)Cl>C1(=CC=CC=C1)O.C(C)(=O)NC1=CC=C(C(=O)N)C=C1 | 3 |
N1CCNCC1.BrC1=CC=C2C=3C=CC(=CC3C(C2=C1)(CC(CCCC)CC)CC(CCCC)CC)C=1SC2=C(N1)C=CC=C2>C1(=CC=CC=C1)C.CC(C)(C)[O-].[Na+].C(C1=CC=CC=C1)=CC(=O)C=CC1=CC=CC=C1.C(C1=CC=CC=C1)=CC(=O)C=CC1=CC=CC=C1.[Pd].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>S1C(=NC2=C1C=CC=C2)C2=CC=C1C=3C=CC(=CC3C(C1=C2)(CC(CCCC)CC)CC(CCCC)CC)... | 3 |
COCCN1N=CC(=C1)C1=CN2C(S1)=C(C=N2)C(=O)NC=2C(=NC=C(C2)NC(C[C@@H]2NCCC2)=O)C>CO[H].CC(=O)C.C(C)(=O)O.C(#N)[BH3-].[Na+]>C(C)(C)N1[C@H](CCC1)CC(=O)NC=1C=C(C(=NC1)C)NC(=O)C=1C=NN2C1SC(=C2)C=2C=NN(C2)CCOC | 3 |
[OH:1][C:2]1[C:3]([CH3:31])=[C:4]2[C:9](=[C:10]([CH3:13])[C:11]=1[CH3:12])[O:8][C:7]([CH2:15][O:16][C:17]1[CH:30]=[CH:29][C:20]([CH2:21][CH:22]3[S:26][C:25](=[O:27])[NH:24][C:23]3=[O:28])=[CH:19][CH:18]=1)([CH3:14])[CH:6]=[CH:5]2.[H][H]>CO.[Pd]>[OH:1][C:2]1[C:3]([CH3:31])=[C:4]2[C:9](=[C:10]([CH3:13])[C:11]=1[CH3:12])[... | 1 |
[CH3:1][O:2][C:3]([CH:5]=P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)=[O:4].O=[C:26]1[CH2:31][N:30]([C:32]([O:34][CH2:35][C:36]2[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=2)=[O:33])[C@H:29]([C:42]([O:44][CH2:45][C:46]2[CH:51]=[CH:50][CH:49]=[CH:48][CH:47]=2)=[O:43])[C@@H:28]([C:52]([O:54][C:55]([CH3:58])([CH3:57])[CH3:56])=[O:53... | 1 |
C(C(=O)C)(=O)O.ClC1=C(C(=C(N)C(=C1)I)F)F>N(C)(C)C=O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.N12CCN(CC1)CC2>ClC=1C=C2C=C(NC2=C(C1F)F)C(=O)O | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]([NH2:20])([C:10]([C:13]2[CH:18]=[CH:17][C:16]([Cl:19])=[CH:15][CH:14]=2)([NH2:12])[CH3:11])[CH3:9])=[CH:4][CH:3]=1.C(N(CC)CC)C.[C:28]([C:32]1[CH:40]=[CH:39][C:35]([C:36](Cl)=[O:37])=[C:34]([O:41][CH2:42][CH3:43])[CH:33]=1)([CH3:31])([CH3:30])[CH3:29].C(C1C=CC(C(O)=O)=C(OCC)C=1)(C)(C... | 1 |
[C:1]([O:5][C:6](=[O:14])[NH:7][CH:8]1[CH2:13][CH2:12][NH:11][CH2:10][CH2:9]1)([CH3:4])([CH3:3])[CH3:2].Cl[C:16]1[N:20]([CH3:21])[N:19]=[N:18][N:17]=1.C(N(CC)CC)C.C(O)CCC>O>[C:1]([O:5][C:6](=[O:14])[NH:7][CH:8]1[CH2:13][CH2:12][N:11]([C:16]2[N:20]([CH3:21])[N:19]=[N:18][N:17]=2)[CH2:10][CH2:9]1)([CH3:4])([CH3:2])[CH3:3... | 1 |
[NH2:1][CH2:2][CH2:3][CH2:4][C:5]([OH:7])=[O:6].[OH-].[Na+].C([O:14][C:15](OC(OC(C)(C)C)=O)=[O:16])(C)(C)C.O.[C:26](O)([CH3:29])([CH3:28])[CH3:27]>>[C:5]([CH2:4][CH2:3][CH:2]([NH2:1])[C:15]([OH:16])=[O:14])([O:7][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:6] | 1 |
C(CC)N.ClC=1N=C(C2=C(N1)C(=NC(=N2)Cl)NCC)NCC>C(CCC)O>C(C)NC=1C2=C(N=C(N1)NCCC)C(=NC(=N2)NCCC)NCC | 3 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][C:9]2[C:18]3[C:13](=[CH:14][C:15]([O:21][CH3:22])=[C:16]([O:19][CH3:20])[CH:17]=3)[N:12]=[CH:11][CH:10]=2)=[CH:4][C:3]=1[CH2:23][OH:24].Cl[C:26](Cl)([O:28]C(=O)OC(Cl)(Cl)Cl)Cl.O>C(N(CC)CC)C.C1(C)C=CC=CC=1>[CH3:20][O:19][C:16]1[CH:17]=[C:18]2[C:13](=[CH:14][C:15]=1[O:21][CH3:22])[N:... | 1 |
[CH3:1][C:2]1[C:7]([CH:8]([CH2:13][CH2:14][CH3:15])[C:9]([O:11]C)=[O:10])=[C:6]([C:16]2[CH:21]=[CH:20][C:19]([CH3:22])=[CH:18][CH:17]=2)[N:5]2[N:23]=[C:24]([CH2:26][CH2:27][CH3:28])[CH:25]=[C:4]2[N:3]=1.[OH-].[Na+]>CO.C(O)C>[CH3:1][C:2]1[C:7]([CH:8]([CH2:13][CH2:14][CH3:15])[C:9]([OH:11])=[O:10])=[C:6]([C:16]2[CH:17]=[... | 2 |
C(=O)(OC(C)(C)C)N1CCNCC1.C(C(C)=C)N=C=S>CCO[H].Cl.N>CC1(C=NC(S1)N1CCNCC1)C | 3 |
[N:1]1([CH2:6][CH2:7][CH2:8][O:9][C:10]2[CH:15]=[CH:14][C:13]([C:16]3([CH2:22][N:23]4[CH2:28][CH2:27][S:26][CH2:25][CH2:24]4)[CH2:21][CH2:20][O:19][CH2:18][CH2:17]3)=[CH:12][CH:11]=2)[CH2:5][CH2:4][CH2:3][CH2:2]1.FC(F)(F)C(OO)=[O:32].OO>C(O)(C(F)(F)F)=O.C(Cl)Cl.[OH-].[Na+]>[N:1]1([CH2:6][CH2:7][CH2:8][O:9][C:10]2[CH:15... | 1 |
[NH2:1][C@:2]12[CH2:37][CH2:36][C@@H:35]([C:38]([CH3:40])=[CH2:39])[C@@H:3]1[C@@H:4]1[C@@:17]([CH3:20])([CH2:18][CH2:19]2)[C@@:16]2([CH3:21])[C@@H:7]([C@:8]3([CH3:34])[C@@H:13]([CH2:14][CH2:15]2)[C:12]([CH3:23])([CH3:22])[C:11]([C:24]2[CH:33]=[CH:32][C:27]([C:28]([O:30]C)=[O:29])=[CH:26][CH:25]=2)=[CH:10][CH2:9]3)[CH2:... | 1 |
C(C)(=O)C1=NN(C2=CC=C(C=C12)C=1C=NC(=NC1)C)CC(=O)O.BrC1=CC=C(C(=N1)NC(=O)[C@H]1NC2CC2(C1)CN1CC2C(C1)CCC2)C>>C(C)(=O)C1=NN(C2=CC=C(C=C12)C=1C=NC(=NC1)C)CC(=O)N1C2CC2(CC1C(=O)NC1=NC(=CC=C1C)Br)CN1CC2C(C1)CCC2 | 5 |
NC1=CC=C(C=C1)O.ClC1=C2C(=NC=N1)N(N=C2)C2OCCCC2>>O1C(CCCC1)N1N=CC=2C1=NC=NC2OC2=CC=C(C=C2)N | 5 |
[C:1](Cl)(=[O:3])[CH3:2].Cl.[CH2:6]1[CH2:10][O:9][C:8]2[CH:11]=[CH:12][C:13]3[CH2:14][CH:15]=[C:16]([CH2:18][CH2:19][NH2:20])[C:17]=3[C:7]1=2.C(N(CC)CC)C>CN(C)C=O>[CH2:6]1[CH2:10][O:9][C:8]2[CH:11]=[CH:12][C:13]3[CH2:14][CH:15]=[C:16]([CH2:18][CH2:19][NH:20][C:1](=[O:3])[CH3:2])[C:17]=3[C:7]1=2 | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)=O.OC(C)C=1C2=C(SC1)C=CC=C2>>OC1(CCN(CC1)C(=O)OC(C)(C)C)C1=C(C2=C(S1)C=CC=C2)C(C)O | 5 |
[S:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[C:2]1[O:10][CH2:11][C:12]([O:14]CC)=[O:13].[OH-].[Na+].Cl>CO>[S:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[C:2]1[O:10][CH2:11][C:12]([OH:14])=[O:13] | 1 |
ClC1=CC(=C(C(=O)NNC2=NC=C(C=C2)C2=CC=C(C=C2)OC)C=C1)OC>>ClC1=CC(=C(C=C1)C1=NN=C2N1C=C(C=C2)C2=CC=C(C=C2)OC)OC | 5 |
[OH:1][C:2]1[N:10]=[CH:9][CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].OS(O)(=O)=O.[CH3:16]O>C1(C)C=CC=CC=1>[O:1]=[C:2]1[C:3]([C:4]([O:6][CH3:16])=[O:5])=[CH:7][CH:8]=[CH:9][NH:10]1 | 1 |
C(C1=CC=CC=C1)N1N=C(N=N1)C(C(=O)OCC)C1CCCC1>>C(C1=CC=CC=C1)N1N=C(N=N1)C(C=O)C1CCCC1 | 5 |
FC1=C(C=CC(=C1F)OC[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)C=C)O.C(C)[C@@H]1CC[C@H](CC1)CBr>>FC1=C(C=CC(=C1F)OC[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)C=C)OC[C@@H]1CC[C@H](CC1)CC | 5 |
[CH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][C:2]=1[O:11][C:12](=[O:46])[C@H:13]([CH2:35][CH2:36][CH2:37][NH:38]C(OC(C)(C)C)=O)[N:14]([C:16](=[O:34])[C@H:17]([CH2:26][C:27]1[CH:32]=[CH:31][C:30]([OH:33])=[CH:29][CH:28]=1)[NH:18]C(OC(C)(C)C)=O)[CH3:15].[F:47][C:48]([F:53])([F:52])[C:49]([OH:51])=[O:50]... | 1 |
FC1=C(CBr)C=CC(=C1)F.ClC=1C=CC(=C(C(=O)NC=2SC3=C(N2)C(OC3(C)C)(C)C)C1)OC>>ClC=1C=CC(=C(C(=O)\N=C\2/SC3=C(N2CC2=C(C=C(C=C2)F)F)C(OC3(C)C)(C)C)C1)OC | 5 |
[OH:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH:8]1[CH2:12][CH2:11][CH:10]([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[N:9]1[C:19](=[O:36])[CH2:20][NH:21][C:22](=[O:35])[NH:23][C:24]1[CH:25]=[C:26]([CH:32]=[CH:33][CH:34]=1)[C:27]([O:29]CC)=[O:28]>CO>[OH:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH:8]1[CH2:12][CH2:... | 1 |
O=[C:2]1[CH2:7][CH2:6][CH:5]([CH2:8][C:9]([O:11][CH3:12])=[O:10])[CH2:4][CH2:3]1.[Br-].[CH2:14]([P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[CH2:15][CH3:16].CC(C)([O-])C.[K+]>C1COCC1>[CH:14](=[C:2]1[CH2:7][CH2:6][CH:5]([CH2:8][C:9]([O:11][CH3:12])=[O:10])[CH2:4][CH2:3]1)[CH2:15][CH3:16] | 1 |
BrC=1C=C2C(=NC1)NC=C2C(=O)C2=C(C(=CC=C2F)[N+](=O)[O-])Cl>O.[Fe].CCO[H]>NC=1C(=C(C(=CC1)F)C(=O)C1=CNC2=NC=C(C=C21)Br)Cl | 3 |
NCCCN(C)[CH2:6][CH2:7][CH2:8][NH:9][C:10]1[CH:15]=[CH:14][C:13]([N:16]=[N+:17]=[N-:18])=[CH:12][C:11]=1[N+:19]([O-:21])=[O:20].F[C:24]1[CH:29]=[CH:28][C:27]([N+:30]([O-:32])=[O:31])=[CH:26][C:25]=1[N+:33]([O-:35])=[O:34].[N:36]1[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1.[OH2:42]>>[CH:14]1[C:13]([N:16]=[N+:17]=[N-:18])=[CH... | 1 |
FC1=CC(=C(OC2=C(C=CC=C2)[N+](=O)[O-])C=C1)OC>O.CO[H].[Cl-].[NH4+].[Cl-].[Zn+2].[Cl-]>FC1=CC(=C(OC2=C(N)C=CC=C2)C=C1)OC | 3 |
O.[NH2:2][C@H:3]([C:8]([OH:10])=[O:9])[CH2:4][C:5](=[O:7])[NH2:6].C(=O)([O-])[O-].[K+].[K+].[C:17](Cl)(=[O:24])[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1>O>[C:17]([NH:2][C@H:3]([C:8]([OH:10])=[O:9])[CH2:4][C:5](=[O:7])[NH2:6])(=[O:24])[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1 | 1 |
ClC1=C(C=C2C(=CNC2=C1)C(=O)OC)B1OCC(CO1)(C)C.BrC1=CC=C(OCC(=O)NC)C=C1>C([O-])([O-])=O.[K+].[K+]>ClC1=C(C=C2C(=CNC2=C1)C=O)C1=CC=C(OCC(=O)NC)C=C1 | 3 |
O[CH:2]1[C:14]2[CH:13]=[CH:12][CH:11]=[C:10]([CH2:15]O)[C:9]=2[C:8]2[C:3]1=[CH:4][CH:5]=[CH:6][CH:7]=2.CCOC(C)=O.[H][H]>[Pd].CC(O)=O>[CH3:15][C:10]1[C:9]2[C:8]3[C:3](=[CH:4][CH:5]=[CH:6][CH:7]=3)[CH2:2][C:14]=2[CH:13]=[CH:12][CH:11]=1 | 1 |
[CH3:1][O:2][C:3]1[C:8]([CH2:9][CH:10]=O)=[CH:7][CH:6]=[CH:5][N:4]=1.[F:12][C:13]1[CH:14]=[C:15]([CH:27]=[CH:28][CH:29]=1)[CH2:16][NH:17][C:18](=[O:26])[CH2:19][CH:20]1[CH2:25][CH2:24][CH2:23][CH2:22][NH:21]1.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C(=O)(O)[O-].[Na+]>C1COCC1.C(O)(=O)C>[F:12][C:13]1[CH:14]=[C:15]([CH:27]=[... | 1 |
FC1=CC2=C(N=C(S2)NC2=CC=C(C=C2)C2=NOC(=C2)C(=O)N)C=C1>>FC1=CC2=C(N=C(S2)NC2=CC=C(C=C2)C2=NOC(=C2)C(N)=S)C=C1 | 5 |
BrCC1CC1.OC=1C=C(C=O)C=CC1O>C([O-])([O-])=O.[K+].[K+].CC(=O)C>C1(CC1)COC1=C(C=C(C=O)C=C1)O | 3 |
BrCC1(CN(C1)S(=O)(=O)C1=CC=C(C=C1)C)CO>c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.C(Br)(Br)(Br)Br>BrCC1(CN(C1)S(=O)(=O)C1=CC=C(C=C1)C)CBr | 3 |
[NH2:1][C@H:2]1[CH2:6][CH2:5][N:4]([C@H:7]2[CH2:12][CH2:11][CH:10]([N:13]([CH:15]([CH3:17])[CH3:16])[CH3:14])[CH2:9][C@H:8]2[CH:18]([CH3:20])[CH3:19])[C:3]1=[O:21].C(N(CC)CC)C.Cl[C:30]1[C:39]2[C:34](=[CH:35][CH:36]=[C:37]([C:40]([F:43])([F:42])[F:41])[CH:38]=2)[N:33]=[CH:32][N:31]=1>CCO>[CH:18]([C@@H:8]1[CH2:9][C@H:10]... | 1 |
CN1N=C(C=C1C=1C=2N(C(=NC1)N(C(OC(C)(C)C)=O)CC1=C(C=CC3=C1CCO3)F)C=C(N2)C(C(F)(F)F)O)C>ClCCCl.[O-2].[O-2].[Mn+4]>CN1N=C(C=C1C=1C=2N(C(=NC1)N(C(OC(C)(C)C)=O)CC1=C(C=CC3=C1CCO3)F)C=C(N2)C(C(F)(F)F)=O)C | 3 |
[C:1]([C:3]1[CH:8]=[C:7]([CH3:9])[CH:6]=[CH:5][C:4]=1[C:10]1[CH:15]=[C:14]([C:16]([O:18]C)=[O:17])[CH:13]=[C:12]([O:20][CH2:21][CH:22]2[O:27][CH2:26][CH2:25][N:24]([C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29])[CH2:23]2)[CH:11]=1)#[N:2].[OH-].[Li+].Cl>C1COCC1>[C:31]([O:30][C:28]([N:24]1[CH2:25][CH2:26][O:27][... | 1 |
I[C:2]1[CH:3]=[C:4]([C:20]([O:22][CH2:23][CH3:24])=[O:21])[C:5](=[O:19])[N:6]([C:9]2[CH:14]=[CH:13][CH:12]=[C:11]([C:15]([F:18])([F:17])[F:16])[CH:10]=2)[C:7]=1[CH3:8].[CH2:25]([O:27][CH:28]([O:31][CH2:32][CH3:33])[C:29]#[CH:30])[CH3:26].C(N(CC)CC)C>C1COCC1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2... | 2 |
BrC=1C=C(C(=O)O)C=CC1F>ClS(Cl)=O.CCO[H].C(C)(=O)OCC>BrC=1C=C(C(=O)OCC)C=CC1F | 3 |
[C:1]([O:4][CH2:5][C:6]([CH3:35])([CH3:34])[CH2:7][N:8]1[C:14]2[CH:15]=[CH:16][C:17]([Cl:19])=[CH:18][C:13]=2[C@@H:12]([C:20]2[CH:25]=[CH:24][CH:23]=[C:22]([O:26][CH3:27])[C:21]=2[O:28][CH3:29])[O:11][C@H:10]([CH2:30][CH2:31]O)[C:9]1=[O:33])(=[O:3])[CH3:2].CC(C)(O)[C:38]#[N:39].C1(C)C=CC=CC=1.N(C(N1CCCCC1)=O)=NC(N1CCCC... | 2 |
C(=O)(OC(C)(C)C)N[C@@H](C(C)C)C(=O)O.COC(N[C@H]1[C@@H](CN(CC1)C1=C(C(=CC(=C1)C#N)NC1=NN2C(C(=N1)N(CC1=CC=C(C=C1)OC)C1CC1)=NC=C2C#N)Cl)O)=O>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC.F[P-](F)(F)(F)(F)F.CN(C(=[N+](C)C)F)C>C(C)(C)(C)OC(=O)N[C@@H](C(=O)O[C@H]1CN(CC[C@@H]1NC(=O)OC)C1=C(C(=CC(=C1)C#N)NC1=NN2C(C(=N1)N(CC1=CC=C(C=C1)O... | 3 |
CC1=C(N=C(O1)C1=CC=CC=C1)COC1=CC=C(CON)C=C1.O=C(CCCCCCC(=O)OCC)C1=CC=CC=C1>>CC1=C(N=C(O1)C1=CC=CC=C1)COC1=CC=C(CO\N=C(/CCCCCCC(=O)OCC)\C2=CC=CC=C2)C=C1 | 5 |
C(C)OC(CBr)OCC.BrC1=C(C=C(C=C1)O)F>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>BrC1=C(C=C(C=C1)OCC(OCC)OCC)F | 3 |
[C:1](OC(=O)C)(=[O:3])C.C(O)=O.[NH2:11][C:12]1[CH:19]=[CH:18][C:15]([C:16]#[N:17])=[CH:14][C:13]=1[O:20][CH3:21]>>[C:16]([C:15]1[CH:18]=[CH:19][C:12]([NH:11][CH:1]=[O:3])=[C:13]([O:20][CH3:21])[CH:14]=1)#[N:17] | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C@H:8]2[C@@H:12]([C:13]3[CH:18]=[CH:17][C:16]([Cl:19])=[CH:15][CH:14]=3)[N:11]([C:20](Cl)=[O:21])[C:10]([C:23]3[S:24][CH:25]=[CH:26][C:27]=3[O:28][CH2:29][CH3:30])=[N:9]2)=[CH:4][CH:3]=1.Cl.Cl.[CH3:33][O:34][N:35]([CH3:45])[C:36](=[O:44])[CH2:37][N:38]1[CH2:43][CH2:42][NH:41][CH2:40][CH2... | 1 |
CI.BrC=1C2=C(C=3CN(C(C3C1)=O)C1=C(C=CC=C1)F)C=CC=C2>>BrC=1C2=C(C=3C(N(C(C3C1)=O)C1=C(C=CC=C1)F)C)C=CC=C2 | 5 |
COC(=O)C1=C(C2=CC=CC=C2C=C1)OCC1=CC=C(C=C1)C(F)(F)F>>FC(C1=CC=C(COC2=C(C=CC3=CC=CC=C23)C(=O)O)C=C1)(F)F | 5 |
C(C=C)(=O)OC.C(C)(C)C=1C=C(C=CC1)Br>N(C)(C)C=O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CCN(CC)CC.CC1=C(C=CC=C1)P(C1=C(C=CC=C1)C)C1=C(C=CC=C1)C>COC(\C=C\C1=CC(=CC=C1)C(C)C)=O | 3 |
[CH3:1][O:2][CH2:3][CH2:4][CH2:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=1[C:12]1[CH:17]=[CH:16][C:15]([C@H:18]2[C@H:23]([C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=3)[CH2:22][C:21](=O)[NH:20][C:19]2=O)=[C:14]([CH3:32])[CH:13]=1.C(Cl)Cl>CO>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=1[C:12... | 2 |
C([O:8][C:9]1[CH:10]=[C:11](/[CH:16]=[CH:17]/[C:18]([O:20][CH3:21])=[O:19])[CH:12]=[CH:13][C:14]=1I)C1C=CC=CC=1.[CH2:22]([NH:29][C:30](=[O:48])[N:31]([CH3:47])[C:32]1[CH:37]=[CH:36][CH:35]=[C:34](B2OC(C)(C)C(C)(C)O2)[CH:33]=1)[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28].P([O-])([O-])([O-])=O.[K+].[K+].[K+]>CN(C)C=O... | 1 |
N1C(=CC=C1)C(=O)O.FC(C(=O)[O-])(F)F.BrC1=CC=C(CC=2C=NC=3N(C2)N=CC3C(=O)NCC[NH3+])C=C1>>BrC1=CC=C(CC=2C=NC=3N(C2)N=CC3C(=O)NCCNC(=O)C=3NC=CC3)C=C1 | 5 |
C1(NCC2=CC=CC=C12)=O.BrCC=1C(=CC=CC1)C#N>>O=C1N(CC2=CC=CC=C12)CC1=C(C#N)C=CC=C1 | 5 |
ClC1=CC=C(N=N1)C(=O)O.NCC(O)C1CC1>ClS(Cl)=O.CCN(CC)CC.O1CCOCC1>C1(CC1)C(CNC(=O)C=1N=NC(=CC1)Cl)O | 3 |
Cl[C:2]1[C:7]([F:8])=[CH:6][N:5]=[C:4]2[N:9]([Si](C(C)C)(C(C)C)C(C)C)[CH:10]=[CH:11][C:3]=12.[I-:22].[Na+].[C:24](Cl)(=[O:26])[CH3:25]>C(#N)C>[C:24]([N:9]1[C:4]2=[N:5][CH:6]=[C:7]([F:8])[C:2]([I:22])=[C:3]2[CH:11]=[CH:10]1)(=[O:26])[CH3:25] | 1 |
N1=C(C=C2N1C1=CC=CC=C1CC2)C=O.[Br-].N1=C(C=C2N1C1=CC=CC=C1CC2)C[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2>C1CCCO1.C(CCC)[Li]>N1=C(C=C2N1C1=CC=CC=C1CC2)CCC2=NN1C(CCC3=CC=CC=C13)=C2 | 3 |
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