smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][C:6]([C:11]([NH:13][NH:14][C:15](=[O:23])[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=1[NH2:22])=[O:12])=[CH:5]2.O.[CH:25](O)=O>>[O:23]=[C:15]1[C:16]2[C:17](=[CH:18][CH:19]=[CH:20][CH:21]=2)[N:22]=[CH:25][N:14]1[NH:13][C:11]([C:6]1[NH:7][C:8]2[C:4]([CH:5]=1)=[CH:3][... | 2 |
Cl[C:2]1[C:3]2[C:4](=[CH:14][N:15](CC3C=CC(OC)=CC=3)[N:16]=2)[N:5]=[C:6]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[N:7]=1.[CH3:26][C:27]1[NH:31][C:30]2[CH:32]=[CH:33][C:34]([NH2:36])=[CH:35][C:29]=2[N:28]=1.Cl>CO.O1CCOCC1>[CH3:26][C:27]1[NH:31][C:30]2[CH:32]=[CH:33][C:34]([NH:36][C:2]3[C:3]4[NH:16][N:15]=[CH:14][C:... | 2 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]2[CH2:14][CH2:13][O:12][CH2:11][CH2:10]2)=[CH:5][C:4]=1[N+:15]([O-])=O.CO>ClCCl.[Pd]>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]2[CH2:10][CH2:11][O:12][CH2:13][CH2:14]2)=[CH:5][C:4]=1[NH2:15] | 1 |
[OH:1][C:2]1[C:3]([CH3:10])=[C:4]([CH:7]=[CH:8][CH:9]=1)[CH2:5][OH:6].C([O-])([O-])=O.[K+].[K+].Br[CH2:18][C:19]([O:21][CH:22]([CH3:24])[CH3:23])=[O:20]>CN(C=O)C.CCOC(C)=O.O>[OH:6][CH2:5][C:4]1[C:3]([CH3:10])=[C:2]([CH:9]=[CH:8][CH:7]=1)[O:1][CH2:18][C:19]([O:21][CH:22]([CH3:24])[CH3:23])=[O:20] | 2 |
COC=1C=C(C=CC1)\C(=C/C#N)\C1=NC=CC=C1>>COC=1C=C(C=CC1)C(CC#N)C1=NC=CC=C1 | 5 |
C1(CC1)CN(C1=NC=2N(C=C1)N=CC2C(=O)NC=2C(=NN(C2)C2CCC(CC2)CO)C(F)F)C>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O.[O-]S(=O)(=S)[O-].[Na+].[Na+]>C1(CC1)CN(C1=NC=2N(C=C1)N=CC2C(=O)NC=2C(=NN(C2)C2CCC(CC2)C=O)C(F)F)C | 3 |
C(C)I.FC1(C[C@@H](CC1)[C@](C(=O)OC1CCN(CC1)CC)(C1=CC=C(C=C1)Cl)O)F>>[I-].FC1(C[C@@H](CC1)[C@](C(=O)OC1CC[N+](CC1)(CC)CC)(C1=CC=C(C=C1)Cl)O)F | 3 |
[NH2:1][C:2]1[CH:7]=[C:6]([C:8]2[CH:13]=[CH:12][C:11]([Br:14])=[CH:10][CH:9]=2)[NH:5][C:4](=[S:15])[N:3]=1.I[CH2:17][CH3:18].C(=O)(O)[O-].[Na+].O>CS(C)=O>[Br:14][C:11]1[CH:10]=[CH:9][C:8]([C:6]2[N:5]=[C:4]([S:15][CH2:17][CH3:18])[N:3]=[C:2]([NH2:1])[CH:7]=2)=[CH:13][CH:12]=1 | 1 |
C(O)(C(F)(F)F)=O.COC1C=CC([CH2:14][N:15](C)[C:16]2[CH:25]=[C:24]3[C:19]([CH:20]=[C:21]([C:30]4[CH:35]=[C:34]([NH2:36])[C:33]([F:37])=[CH:32][C:31]=4[Cl:38])[C:22](=[O:29])[N:23]3[CH:26]([CH3:28])[CH3:27])=[CH:18][N:17]=2)=CC=1.C([O-])([O-])=O.[Na+].[Na+]>O>[NH2:36][C:34]1[C:33]([F:37])=[CH:32][C:31]([Cl:38])=[C:30]([C:... | 1 |
C(C(=O)N)(=O)O.FC1=CC=C(C=C1)N1N=CC2=CC(=CC=C12)O[C@@H]([C@H](C)N)C1=CC(=CC=C1)OC>ClCCl.C(C)(C)NC(C)C.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>FC1=CC=C(C=C1)N1N=CC2=CC(=CC=C12)O[C@@H]([C@H](C)NC(=O)C(=O)N)C1=CC(=CC=C1)OC | 3 |
[I:1][C:2]1[CH:3]=[C:4]([C:11]([OH:13])=O)[C:5](=[CH:9][CH:10]=1)[C:6]([OH:8])=O.[NH2:14][CH2:15][C:16]([OH:18])=[O:17]>>[I:1][C:2]1[CH:3]=[C:4]2[C:5](=[CH:9][CH:10]=1)[C:6](=[O:8])[N:14]([CH2:15][C:16]([OH:18])=[O:17])[C:11]2=[O:13] | 1 |
FC(OC1=C(C(=CC=C1)C)NS(=O)(=O)C1=NNC=N1)F.ClC1=NC(=NC(=C1)OC)S(=O)(=O)C>N(C)(C)C=O.S(O)(O)(=O)=O.C([O-])([O-])=O.[K+].[K+]>FC(OC1=C(C(=CC=C1)C)NS(=O)(=O)C1=NN(C=N1)C1=NC(=CC(=N1)Cl)OC)F | 3 |
N1C(=NC=C1)C=1SC=CN1.ClCC1=NC=C(N=C1OC)C1=CC=CC=C1>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>COC=1C(=NC=C(N1)C1=CC=CC=C1)CN1C(=NC=C1)C=1SC=CN1 | 3 |
C(C)N1C=NC(=C1)C(F)(F)F>C1CCCO1.C(CCC)[Li].C(Br)(Br)(Br)Br.[Cl-].[NH4+]>BrC=1N(C=C(N1)C(F)(F)F)CC | 3 |
[CH3:1][C:2]1[C:10]2[C:5](=[CH:6][CH:7]=[C:8]([C:11]([O:13]C)=[O:12])[CH:9]=2)[NH:4][C:3]=1[C:15]1[NH:19][N:18]=[CH:17][CH:16]=1.[OH-].[Na+].Cl>O1CCCC1.CO>[CH3:1][C:2]1[C:10]2[C:5](=[CH:6][CH:7]=[C:8]([C:11]([OH:13])=[O:12])[CH:9]=2)[NH:4][C:3]=1[C:15]1[NH:19][N:18]=[CH:17][CH:16]=1 | 2 |
C[Si](C)(C)C=[N+]=[N-].ClC1=C(C=CC(=C1)F)S(=O)(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)O>CCCCCCC.C1(=CC=CC=C1)C.CO>ClC1=C(C=CC(=C1)F)S(=O)(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)OC | 3 |
[H][H].[CH2:3]([NH2:10])[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.[CH3:11][NH2:12]>>[CH2:3]([N:10]1[CH:4]2[CH2:9][CH:8]1[CH2:11][NH:12][CH2:6][CH2:5]2)[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1 | 1 |
N(=[N+]=[N-])[C@@H](C)C=1C=C(C(=C(C1)F)F)F>>FC=1C=C(C=C(C1F)F)[C@H](C)N | 5 |
O1C=CC=2C1=CN=C(C2)CO.BrC1=CC(=CC2=C1OCCO2)C=O.FC=1C=NC2=CC=C(N=C2C1C(C(=O)OC)=C)OC.C1(=CC=CC=C1)COC(N[C@@H]1[C@@H](CNCC1)F)=O>>FC=1C=NC2=CC=C(N=C2C1C(C(=O)OC)CN1C[C@H]([C@H](CC1)NC(=O)OCC1=CC=CC=C1)F)OC | 5 |
C(C=C)OC(C(CCN1NC[C@H]2[C@@H]1C(CN2C(=O)OC(C)(C)C)(F)F)(C)C)=O>CO[H].C(C)(=O)O.C=O.C(O)([O-])=O.[Na+].C(#N)[BH3-].[Na+]>C(C=C)OC(C(CCN1N(C[C@H]2[C@@H]1C(CN2C(=O)OC(C)(C)C)(F)F)C)(C)C)=O | 3 |
C(=O)(O)C=1C=[N+](C=CC1)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O.Br.[Br-].NCCCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>N(C)(C)C=O.O.C(C)(C)N(C(C)C)CC.CCN=C=NCCCN(C)C>O[C@H]1[C@@H](O[C@@H]([C@H]1O)COP(=O)(O)O)[N+]1=CC(=CC=C1)C(NCCCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)=O | 4 |
C(C)(C)(C)OC(N(C(C)C=1N(C2=NC(=NC=C2N1)C(F)(F)F)CC)S(=O)(=O)C1=CC=C(C=C1)Cl)=O>>ClC1=CC=C(C=C1)S(=O)(=O)NC(C)C=1N(C2=NC(=NC=C2N1)C(F)(F)F)CC | 5 |
C[C@H]1CC[C@H](CC1)NC=1C=C2C=CC(=CC2=CC1)C(=O)OC>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-].O.O.O.O.O.O.O.O.O.O.S(=O)(=O)([O-])[O-].[Na+].[Na+]>C[C@H]1CC[C@H](CC1)NC=1C=C2C=CC(=CC2=CC1)CO | 3 |
[N:1]1[C:10]2[C:5](=[CH:6][C:7]([CH2:11][N:12]3[C:16]4=[N:17][C:18]([N:21]5[CH2:25][CH2:24][CH:23](C(O)=O)[CH2:22]5)=[CH:19][N:20]=[C:15]4[N:14]=[N:13]3)=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1.O.O[N:31]1[C:35]2C=CC=CC=2N=N1.Cl.CN(C)CCCN=C=NCC.CN1CCOCC1.N>CN(C=O)C.C(OC)(C)(C)C>[CH3:35][NH:31][C@@H:23]1[CH2:24][CH2:25][N:2... | 1 |
N1N=C(C=C1)B(O)O.BrC1=C(C=2C(=NC(=CC2NS(=O)(=O)C2=CC(=CC=C2)Cl)C)S1)C1=CC(=CC=C1)OC>>ClC=1C=C(C=CC1)S(=O)(=O)NC1=C2C(=NC(=C1)C)SC(=C2C2=CC(=CC=C2)OC)C2=NNC=C2 | 5 |
O(C1SC(CO)=CN=1)C1C=CC=CC=1.[CH3:15][C:16]1([CH3:31])[CH:18]([CH:19]=[CH:20][C:21]([O:23][CH2:24][CH:25]2[CH2:27][CH2:26]2)=[O:22])[CH:17]1[C:28]([OH:30])=[O:29]>>[CH3:15][C:16]1([CH3:31])[CH:18]([CH:19]=[CH:20][C:21]([O:23][CH2:24][CH:25]2[CH2:27][CH2:26]2)=[O:22])[CH:17]1[C:28]([OH:30])=[O:29].[CH3:15][C:16]1([CH3:31... | 1 |
[Br:1][C:2]1[C:3]([O:9][CH3:10])=[N:4][CH:5]=[C:6](F)[CH:7]=1.[CH3:11][O-:12].[Na+]>CO>[Br:1][C:2]1[C:3]([O:9][CH3:10])=[N:4][CH:5]=[C:6]([O:12][CH3:11])[CH:7]=1 | 2 |
[CH3:1][O-:2].[Na+].[Br:4][C:5]1[CH:6]=[N:7][CH:8]=[C:9](Br)[CH:10]=1>CN(C)C=O.O>[Br:4][C:5]1[CH:6]=[N:7][CH:8]=[C:9]([O:2][CH3:1])[CH:10]=1 | 2 |
[CH:1]1(P(C2CCCCC2)C2C=CC=CC=2C2C=CC=CC=2)[CH2:6]CCC[CH2:2]1.[CH3:26]N(C)C(=O)C.[CH2:32]1[CH2:42][CH2:41][N:40]2[C:35](=[N:36][CH2:37][CH2:38][CH2:39]2)[CH2:34][CH2:33]1.[OH2:43]>C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[CH3:26][C:38]1[CH:37]=[N:36][C:35]2[NH:40][C:41]3[C:33]([C:34]=2[CH:39]=1)=[CH:6][CH:1]=[CH:2][C:42]=3[CH2:... | 2 |
ClC=1C=C(N)C=CC1F.BrC1=C(SC2=CN=CC=C21)C(=O)OC>C1(=CC=CC=C1)C.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.C(=O)([O-])[O-].[Cs+].[Cs+].C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8>ClC=1C=C(C=CC1F)NC1=C(SC2=CN=CC=C... | 3 |
Cl.Cl[CH2:3][CH2:4][CH2:5][N:6]1[CH2:11][C@@H:10]([CH3:12])[CH2:9][C@H:8]([CH3:13])[CH2:7]1.[CH3:14][N:15]([CH3:29])[C@H:16]1[CH2:21][CH2:20][C@H:19]([C:22]2[CH:27]=[CH:26][C:25]([OH:28])=[CH:24][CH:23]=2)[CH2:18][CH2:17]1.C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O>[CH3:14][N:15]([CH3:29])[C@H:16]1[CH2:17][CH2:18][C@H:19]([C:2... | 1 |
C(C)(C)(C)OC(=O)N1C[C@@H](CCC1)NC=1C2=C(N=C(N1)Cl)NC=C2C#N>CO[H].Cl>Cl.ClC=1N=C(C2=C(N1)NC=C2C#N)N[C@H]2CNCCC2 | 3 |
COCC1=NOC(=C1)C>N(C)(C)C=O.BrN1C(CCC1=O)=O>BrC=1C(=NOC1C)COC | 3 |
C(=O)(OC(C)(C)C)N1CCNCC1.COC(=O)C1=CC=C(C=2C=C(OC21)C)Br>C1(=CC=CC=C1)C.C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.C(=O)([O-])[O-].[Cs+].[Cs+].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]>COC(=O)C1=CC=C(C=2C=C(OC21)C)N2CCN(CC2)C(=O)OC(C)(C)C | 3 |
CI.N1C(C2(C3=CC=CC=C13)CCC(CC2)=O)=O>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>CN1C(C2(C3=CC=CC=C13)CCC(CC2)=O)=O | 3 |
BrC1=CC=C(C(=O)Cl)C=C1.C(C1=CC=CC=C1)(=O)NN>>C(C1=CC=CC=C1)(=O)NNC(C1=CC=C(C=C1)Br)=O | 5 |
ClCCCS(=O)(=O)C1=CC2=C(N=C(S2)N)C=C1>>ICCCS(=O)(=O)C1=CC2=C(N=C(S2)N)C=C1 | 5 |
S1C(=NC=C1)C(=O)O>C1CCCO1.CCN(CC)CC.CCO[H].F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C.NC=1C=CC2=C(N=C(S2)C2=CC=CC=C2)C1>C1(=CC=CC=C1)C=1SC2=C(N1)C=C(C=C2)NC(=O)C=2SC=CN2 | 3 |
Br[C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([CH2:11][CH3:12])[N:6]=[CH:5]2.C([Li])CCC.[B:18](OC(C)C)([O:23]C(C)C)[O:19]C(C)C>O1CCCC1.CCCCCC>[CH2:11]([N:7]1[C:8]2[C:4](=[CH:3][C:2]([B:18]([OH:23])[OH:19])=[CH:10][CH:9]=2)[CH:5]=[N:6]1)[CH3:12] | 1 |
ClC1=NC=C(C(=O)N)C=C1.C(C)(C)(C)OC(NCC(C)(C)C1=CC=C(C=C1)O)=O>>C(C)(C)(C)OC(NCC(C)(C)C1=CC=C(C=C1)OC1=NC=C(C=C1)C(N)=O)=O | 5 |
[CH2:1]([O:8][C:9]([NH:11][C:12]1[CH:17]=[CH:16][C:15]([C:18]2[C:19]([C:43]([O:45][CH2:46][C:47]3[CH:52]=[CH:51][CH:50]=[CH:49][CH:48]=3)=[O:44])=[CH:20][C:21]([CH2:24][O:25][Si](C(C)(C)C)(C3C=CC=CC=3)C3C=CC=CC=3)=[CH:22][CH:23]=2)=[C:14]([C:53]([O:55][CH2:56][O:57][CH3:58])=[O:54])[CH:13]=1)=[O:10])[C:2]1[CH:7]=[CH:6]... | 1 |
COC(=O)C(C)OC1=NC=CC=C1[N+](=O)[O-]>CCO[H].[HH].[Pt](=O)=O>NC=1C(=NC=CC1)OC(C)C(=O)OC | 3 |
FC1=NC=CC=C1C(=O)OC>[H-].[Na+].CN1C(CCC1)=O.[Cl-].[NH4+].N1N=NN=C1>N1(N=NN=C1)C1=C(C(=O)OC)C=CC=N1 | 3 |
[NH2:1][C:2]1[CH:26]=[C:25]([CH2:27][N:28]2[CH2:33][CH2:32][N:31]([CH3:34])[CH2:30][CH2:29]2)[CH:24]=[CH:23][C:3]=1[C:4]([NH:6][CH2:7][CH2:8][CH2:9][CH2:10][N:11]1[CH2:16][CH:15]=[C:14]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[CH2:13][CH2:12]1)=[O:5].[C:35](N1C=CN=C1)(N1C=CN=C1)=[O:36]>O1CCCC1>[CH3:34][N:31]1[CH... | 1 |
ClC1=CC=C2C(=CN(C2=C1C#N)COCC[Si](C)(C)C)C=1C=NN(C1)C1OCCCC1>CO[H].ClCCl.C(=O)(C(F)(F)F)O.N>ClC1=CC=C2C(=CNC2=C1C#N)C=1C=NNC1 | 3 |
C(C)(C)NC(C)C.[Li].ClC1=C(C(=CC=C1)C)N=C=O.ClC=1C(=NC=CC1)N1N=C(C=C1)C(F)(F)F>>ClC1=C(C(=CC=C1)C)C=1C(=NN(C1C(=O)N)C1=NC=CC=C1Cl)C(F)(F)F | 5 |
[C:1]([O:5][C:6]([NH:8][C:9]1[CH:17]=[CH:16][CH:15]=[C:14]2[C:10]=1[CH:11]=[CH:12][N:13]2[C:18]([C:25]1[CH:30]=[CH:29][C:28]([Cl:31])=[CH:27][CH:26]=1)([CH2:23][CH3:24])[C:19](OC)=[O:20])=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH2:32]([Mg]Br)[CH3:33].CCOCC.C(=O)(O)[O-].[Na+]>C1COCC1.CC(=O)OCC.CC(C)[O-].[Ti+4].CC(C)[O-].CC(C)... | 1 |
CC(C(C=CC=1C=NC=CC1)=O)(C)C>C1CCCO1.[HH].[Al].[Ni]>CC(C(CCC=1C=NC=CC1)=O)(C)C | 3 |
C([N:11]1[CH2:18][C:17]([F:20])([F:19])[CH2:16][C@H:12]1[C:13]([OH:15])=[O:14])(OCC1C=CC=CC=1)=O.[BrH:21].CCOCC>C(O)(=O)C>[BrH:21].[F:19][C:17]1([F:20])[CH2:18][NH:11][C@H:12]([C:13]([OH:15])=[O:14])[CH2:16]1 | 1 |
FC1=C(C=C(C=C1)F)[C@@H]1N(CCC1)C1=NC=2N(C=C1)N=CC2NC(=O)N2C[C@H](CC2)O>CCO[H].O(C(C)(C)C)C>Cl.FC1=C(C=C(C=C1)F)[C@@H]1N(CCC1)C1=NC=2N(C=C1)N=CC2NC(=O)N2C[C@H](CC2)O | 3 |
CN.ClC1=CC(=NC(=N1)S(=O)(=O)C)N1C[C@H](CC[C@H]1C(F)(F)F)C(=O)NC1CCCCC1>C1CCCO1.O1CCOCC1.C(C)(C)N(C(C)C)CC>ClC1=CC(=NC(=N1)NC)N1C[C@H](CC[C@H]1C(F)(F)F)C(=O)NC1CCCCC1 | 3 |
Br[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][O:7][CH2:8][CH:9]1[CH2:14][CH:13]2[CH2:15][CH:10]1[CH:11]=[CH:12]2.[CH2:16]([O:18][P:19]([O:23]CC)[O:20][CH2:21][CH3:22])[CH3:17]>>[CH:10]12[CH2:15][CH:13]([CH:12]=[CH:11]1)[CH2:14][CH:9]2[CH2:8][O:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][P:19](=[O:23])([O:20][CH2:21][CH3:22])[O:18][C... | 1 |
C1COCCN1.CC1=C(C=CC(=C1)C)N(S(=O)(=O)C1=CC(=C(C=C1)C1OC1)O)CC(C)C>>CC1=C(C=CC(=C1)C)N(S(=O)(=O)C1=CC(=C(C=C1)C(CO)N1CCOCC1)O)CC(C)C | 5 |
BrC=1C=C(C(=NC1)NC=1SC=C(N1)CC(C(=O)O)(C)OC)OC1=CC=CC=C1>>BrC=1C=C(C(=NC1)NC=1SC=C(N1)CC(C(=O)N1CCCC1)(C)OC)OC1=CC=CC=C1 | 5 |
O1C(NCC1)=O.Cl.FC=1C=C(N)C=CC1>>Cl.FC=1C=C(C=CC1)NCCN | 3 |
CC1(NCCC1)C.CC(C(=O)OC)(C=O)C>ClCCl.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>CC1(N(CCC1)CC(C(=O)OC)(C)C)C | 3 |
[C:1]([O:5][C:6]([NH:8][CH2:9][C:10]1[CH:11]=[C:12]([C:16]2[CH:21]=[C:20]([CH2:22][NH:23][CH:24]([C:29]3[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=3)[C:25]([F:28])([F:27])[F:26])[CH:19]=[C:18]([CH2:35][O:36][C:37]3[CH:42]=[CH:41][CH:40]=[CH:39][C:38]=3[CH2:43][C:44]([O:46]C)=[O:45])[CH:17]=2)[CH:13]=[CH:14][CH:15]=1)=[O:7])... | 2 |
[CH2:1]([C:3]1[CH:8]=[CH:7][CH:6]=[C:5](OC)[C:4]=1/[CH:11]=[N:12]/[CH:13]([CH:17]([CH3:19])[CH3:18])[CH:14]([CH3:16])[CH3:15])[CH3:2].[CH2:20]([Li])[CH:21]([CH3:23])[CH3:22]>>[CH2:1]([C:3]1[CH:8]=[CH:7][CH:6]=[C:5]([CH2:20][CH:21]([CH3:23])[CH3:22])[C:4]=1/[CH:11]=[N:12]/[CH:13]([CH:17]([CH3:19])[CH3:18])[CH:14]([CH3:1... | 1 |
[CH:1]1([CH2:4][O:5][C:6]2[CH:7]=[C:8]([C:16]3[C:17]([CH3:23])([CH3:22])[C:18](=[O:21])[NH:19][N:20]=3)[CH:9]=[CH:10][C:11]=2[O:12][CH:13]([F:15])[F:14])[CH2:3][CH2:2]1.CC1C=CC(S(O[CH:35]2[CH2:40][CH2:39][N:38](C(OC(C)(C)C)=O)[CH2:37][CH2:36]2)(=O)=O)=CC=1>>[CH:1]1([CH2:4][O:5][C:6]2[CH:7]=[C:8]([C:16]3[C:17]([CH3:23])... | 1 |
ClC1=CC(=NC=N1)C(=O)OCC.C(CCC)[Sn](C1=NC=C(C=C1)C(F)(F)F)(CCCC)CCCC>>FC(C=1C=CC(=NC1)C1=CC(=NC=N1)C(=O)OCC)(F)F | 5 |
ClCC(=O)O.N1CCC=CC1>O.[OH-].[Na+]>N1(CC=CCC1)CC(=O)O | 3 |
N[C@H]1[C@H](COCC1)NC(OC(C)(C)C)=O.ClC1=NC(=C(C2=C1C(N(C2C)CC2=C(C=C(C=C2)OC)OC)=O)F)Cl>C(C)(C)N(C(C)C)CC>ClC1=NC(=C(C2=C1C(N(C2C)CC2=C(C=C(C=C2)OC)OC)=O)F)N[C@H]2[C@H](COCC2)NC(OC(C)(C)C)=O | 3 |
C(C(C)(C)C)(=O)OCN1C=NC2=CC(=CC(=C2C1=O)OCCCl)OCCOC>>ClCCOC1=C2C(NC=NC2=CC(=C1)OCCOC)=O | 5 |
C(CO)O.COC1=C(C=CC(=C1)OC)C(OC)(OC)C1=CC=C(C=C1)OC>>COC1=C(C=CC(=C1)OC)C1(OCCO1)C1=CC=C(C=C1)OC | 5 |
[CH2:1]([CH:4]1[C:11]2[CH:10]=[C:9]([C:12]([O:14]C)=[O:13])[NH:8][C:7]=2[CH2:6][CH2:5]1)[CH2:2][CH3:3].O.[OH-].[Li+]>>[CH2:1]([CH:4]1[C:11]2[CH:10]=[C:9]([C:12]([OH:14])=[O:13])[NH:8][C:7]=2[CH2:6][CH2:5]1)[CH2:2][CH3:3] | 1 |
CC1(C)CCCC(C)(C)N1.[CH2:11]([Li])[CH2:12][CH2:13][CH3:14].C1(N=C[C:24]2[CH:29]=[CH:28][CH:27]=[C:26]([O:30]C)C=2)CCCCC1.ICC.[NH4+].[Cl-].Cl.C1C[O:41][CH2:40]C1>O>[CH2:13]([C:12]1[C:11]([O:41][CH3:40])=[CH:24][CH:29]=[CH:28][C:27]=1[CH:26]=[O:30])[CH3:14] | 1 |
[CH:1](=O)[CH2:2][CH2:3][CH2:4][CH2:5][CH3:6].Cl.[NH2:9][OH:10]>>[CH2:1]([N:9]([CH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[OH:10])[CH2:2][CH2:3][CH2:4][CH2:5][CH3:6] | 1 |
BrC1=C2C=CC=NC2=C(C=C1)O>C(Cl)(Cl)(Cl)[H].ClN1C(CCC1=O)=O>BrC1=C2C=CC=NC2=C(C(=C1)Cl)O | 3 |
[OH:1][C@:2]1([C:13]2[S:14][C:15]([C:18]3[CH:23]=[C:22]([NH:24][C:25]4[N:30]=[C:29]([C:31]([F:34])([F:33])[F:32])[CH:28]=[CH:27][N:26]=4)[CH:21]=[C:20]([CH3:35])[CH:19]=3)=[CH:16][N:17]=2)[CH2:7][CH2:6][C@H:5]([C:8]([OH:10])=[O:9])[C:4]([CH3:12])([CH3:11])[CH2:3]1.[Br:36]NC(=O)CCC(N)=O>C(Cl)(Cl)Cl>[Br:36][C:19]1[C:20](... | 1 |
[C:1]1([SiH:7]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[C:20]([O:23][CH2:24][CH:25]=[CH2:26])(=[O:22])[CH3:21]>[H+].[H+].Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl.C(O)C>[C:20]([O:23][CH2:24][CH2:25][CH2:26][Si:7]([C:1]1[CH:2]=[CH:3][CH:4]=[CH:5][CH... | 2 |
CP(=O)=C.ClC1=CC=C(C(=N1)F)I>O1CCOCC1.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>ClC1=CC=C(C(=N1)F)P(=O)(C)C | 3 |
C1(CC1)C(CC(=O)OCC)C1=CC(=CC=C1)OCC1CCN(CC1)C1=C(C=CC(=C1)OC)C(N(C1=NC(=CC=C1)OC)CC(C)C)=O>>C1(CC1)C(CC(=O)OCC)C1=CC(=CC=C1)OCC1CCN(CC1)C1=C(C=CC(=C1)OC)C(N(C=1NC(C=CC1)=O)CC(C)C)=O | 5 |
CN1CCNCC1.BrCCOC(C)=O>C1CCCO1.C([O-])([O-])=O.[K+].[K+]>C(C)OC(CN1CCN(CC1)C)=O | 3 |
COC1=C(C2=C(C=CO2)C=C1)B1OC(C(O1)(C)C)(C)C.ClC=1C(=CC2=C(N(C(N=C2N2[C@H](CN(CC2)C(=O)OC(C)(C)C)C)=O)C=2C(=NC=CC2C)C(C)C)N1)F>CC#N.O.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>FC1=CC2=C(N(C(N=C2N2[C@H]... | 3 |
CI.OCC=1C=C(C2=C(C(CO2)(C)C)C1)C=1C=C(C=O)C=CC1OC(F)(F)F>>COCC=1C=C(C2=C(C(CO2)(C)C)C1)C=1C=C(C=O)C=CC1OC(F)(F)F | 5 |
N[C@@H](CCCNC(N)=N)C(=O)O.[OH-].[Mg+2].[OH-]>CCO[H]>N[C@@H](CCCNC(N)=N)C(=O)[O-].[Mg+2].N[C@@H](CCCNC(N)=N)C(=O)[O-] | 3 |
C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.CC(OC(/N=N/C(OC(C)(C)C)=O)=O)(C)C.[N:36]1[CH:41]=[CH:40][CH:39]=[C:38]([CH2:42][OH:43])[CH:37]=1.[Br:44][C:45]1[CH:46]=[C:47]2[C:52](=[CH:53][C:54]=1O)[N:51]=[C:50]([NH:56][C:57]1[CH:62]=[CH:61][CH:60]=[C:59]([CH2:63][N:64]3[CH2:69][CH2:68][O:67][CH2:66][CH2:65]3)[CH:58]=1)[N:49]=... | 2 |
C(#N)[Zn]C#N.ClC1=C(C=C(C=C1)CO)C(F)(F)F>>OCC1=CC(=C(C#N)C=C1)C(F)(F)F | 5 |
[OH:1][N:2]=[C:3]([Cl:17])[C@H:4]1[C@H:8]([CH2:9][O:10][CH3:11])[O:7][C:6]2([CH2:16][CH2:15][CH2:14][CH2:13][CH2:12]2)[O:5]1.[CH3:18][S:19](Cl)(=[O:21])=[O:20].C(N(CC)CC)C>CCOCC>[CH3:11][O:10][CH2:9][C@@H:8]1[O:7][C:6]2([CH2:16][CH2:15][CH2:14][CH2:13][CH2:12]2)[O:5][C@H:4]1[C:3]([Cl:17])=[N:2][O:1][S:19]([CH3:18])(=[O... | 1 |
FC1=C(C=CC=C1)SC1CCN(CC1)C(=O)OC(C)(C)C>O.C1CCCO1.CO[H].C(C)(=O)OCC.S(=O)(=O)(O[O-])[O-].[K+].[K+]>FC1=C(C=CC=C1)S(=O)(=O)C1CCN(CC1)C(=O)OC(C)(C)C | 3 |
CO[CH2:3][N:4]([CH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)[CH2:5][Si](C)(C)C.[Cl:17][C:18]1[CH:23]=[CH:22][C:21](/[CH:24]=[CH:25]/[N+:26]([O-:28])=[O:27])=[CH:20][CH:19]=1.FC(F)(F)C(O)=O>C(Cl)Cl>[CH2:10]([N:4]1[CH2:5][CH:25]([N+:26]([O-:28])=[O:27])[CH:24]([C:21]2[CH:22]=[CH:23][C:18]([Cl:17])=[CH:19][CH:20... | 1 |
BrCCC1=CC=C(C=C1)O>>C(C)(=O)OC1=CC=C(C=C1)CCBr | 5 |
[F:1][C:2]([F:23])([F:22])[O:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[C:10]1[O:11][C:12]([C:18]([F:21])([F:20])[F:19])=[C:13]([C:15]([OH:17])=O)[N:14]=1.[CH3:24][O:25][CH2:26][CH2:27][N:28]([CH3:36])[C:29]1[CH:34]=[CH:33][C:32]([NH2:35])=[CH:31][N:30]=1>>[CH3:24][O:25][CH2:26][CH2:27][N:28]([CH3:36])[C:29]1[N:30]=[CH:... | 1 |
ClC(=O)OCC1=CC=CC=C1.O1CCCOC12CCNCC2>>O1CCCOC12CCN(CC2)C(=O)OCC2=CC=CC=C2 | 5 |
BrC1=C(C=C(C(=C1)OC)C(F)F)OC>>FC(C1=CC(=C(C=C1OC)B1OC(C(O1)(C)C)(C)C)OC)F | 5 |
C1(CCCCC1)C1=CC(=C(C=C1)CC(=O)O)O>ClCCl.[N+](=O)(O)[O-]>C1(CCCCC1)C1=CC(=C(C=C1[N+](=O)[O-])CC(=O)O)O | 3 |
[CH:1]12[O:9][CH:8]1[CH2:7][CH2:6][CH:5]=[CH:4][CH2:3][CH2:2]2.[H-].[H-].[H-].[H-].[Li+].[Al+3].O.[OH-].[Na+]>C(OCC)C>[CH:8]1([OH:9])[CH2:1][CH2:2][CH2:3][CH:4]=[CH:5][CH2:6][CH2:7]1 | 2 |
ClCC(=O)NC.C(N)(=O)CN(C=1C=C(C(=O)NCC2=C(C=C(C=C2)C#N)O)C=C(C1)Cl)S(=O)(=O)CCC>CC#N.[I-].[K+].C(=O)([O-])[O-].[Cs+].[Cs+]>C(N)(=O)CN(C=1C=C(C(=O)NCC2=C(C=C(C=C2)C#N)OCC(NC)=O)C=C(C1)Cl)S(=O)(=O)CCC | 3 |
[CH3:1][O:2][C:3]1[C:23]([O:24][CH3:25])=[CH:22][C:6]2[C:7]([OH:21])=[CH:8][C:9]3[C:10]([CH3:20])([CH3:19])[C:11]4[CH:12]=[C:13](Br)[CH:14]=[CH:15][C:16]=4[C:17]=3[C:5]=2[CH:4]=1.[CH3:26][O:27][C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=1B(O)O.C(=O)([O-])[O-].[Na+].[Na+].COC>O>[CH3:1][O:2][C:3]1[C:23]([O:24][CH3:25])=[... | 1 |
N(=[N+]=[N-])CCCC(=O)C1=CC=CC=C1.FC1=C(C(NN)=S)C=C(C=C1)F>C(C)(=O)O.C(C)O.ClCCl>N(=[N+]=[N-])CCCC1(SC(=NN1)C1=C(C=CC(=C1)F)F)C1=CC=CC=C1 | 3 |
OCC=1C=C2C(C(=CN(C2=CC1)C)OCC1=CC=C(C=C1)OC)=O>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>COC1=CC=C(COC2=CN(C3=CC=C(C=C3C2=O)C=O)C)C=C1 | 3 |
BrC1=CC(=C2C=NNC2=C1)[N+](=O)[O-]>CC#N.C(C)(=O)O.F[B-](F)(F)F.F[B-](F)(F)F.ClC[N+]12CC[N+](CC1)(CC2)F>BrC1=CC(=C2C(=NNC2=C1)F)[N+](=O)[O-].BrC1=CC(=C2C=NNC2=C1)[N+](=O)[O-] | 3 |
NC1=NC(=CC(=N1)C)C.CC1=CC(=CC=C1)S(=O)(=O)O>O.O=S(=O)(O)C.[Na].C=O>CC1=NC(=NC(=C1)C)NCS(=O)(=O)C1=CC=C(C=C1)C | 3 |
C([N:8]1[CH2:12][CH2:11][C:10]([C:17]2[CH:22]=[C:21]([Cl:23])[C:20]([F:24])=[C:19]([Cl:25])[CH:18]=2)([C:13]([F:16])([F:15])[F:14])[CH2:9]1)C1C=CC=CC=1.ClC(OC(Cl)C)=O.O>ClCCCl.CO>[Cl:25][C:19]1[CH:18]=[C:17]([C:10]2([C:13]([F:16])([F:15])[F:14])[CH2:11][CH2:12][NH:8][CH2:9]2)[CH:22]=[C:21]([Cl:23])[C:20]=1[F:24] | 1 |
[CH3:1][NH:2][CH2:3][CH2:4][CH2:5][CH2:6][NH:7][C:8](=[O:14])[O:9][C:10]([CH3:13])([CH3:12])[CH3:11].[S:15](=[O:19])(=[O:18])(N)[NH2:16]>O1CCOCC1.C(OC(C)C)(C)C>[C:10]([O:9][C:8](=[O:14])[NH:7][CH2:6][CH2:5][CH2:4][CH2:3][N:2]([S:15]([NH2:16])(=[O:19])=[O:18])[CH3:1])([CH3:11])([CH3:13])[CH3:12] | 1 |
C1(CC1)CN1C2=NC(=NC(=C2N=C1N1CCNCC1)N1CCOCC1)C=1C=NC(=NC1)N>N(C)(C)C=O.CCN(CC)CC.Cl.CN(CCCN=C=NCC)C.O.ON1N=NC2=C1C=CC=C2.Cl.CN(CC(=O)O)C>C1(CC1)CN1C2=NC(=NC(=C2N=C1N1CCN(CC1)C(CN(C)C)=O)N1CCOCC1)C=1C=NC(=NC1)N | 3 |
[OH:1][C:2]1[CH:3]=[C:4]([NH:11][C:12](=[O:14])[CH3:13])[CH:5]=[CH:6][C:7]=1[N+:8]([O-:10])=[O:9].[C:15](=O)([O-])[O-].[K+].[K+].CI.C(OCC)(=O)C>CN(C)C=O.[Cl-].[Na+].O>[CH3:15][O:1][C:2]1[CH:3]=[C:4]([NH:11][C:12](=[O:14])[CH3:13])[CH:5]=[CH:6][C:7]=1[N+:8]([O-:10])=[O:9] | 2 |
[NH2:1][C:2]1[CH:28]=[C:27]([O:29][CH3:30])[CH:26]=[CH:25][C:3]=1[NH:4][CH2:5][CH2:6][N:7]1[CH2:12][CH2:11][N:10]([C:13]2[CH:18]=[CH:17][C:16]([O:19][CH3:20])=[C:15]([C:21]([F:24])([F:23])[F:22])[CH:14]=2)[CH2:9][CH2:8]1.[C:31](N1C=CN=C1)(N1C=CN=C1)=[O:32]>O1CCCC1>[CH3:30][O:29][C:27]1[CH:26]=[CH:25][C:3]2[N:4]([CH2:5]... | 1 |
BrC1=CC=C(CN)C=C1.N1=C(C=C(C=C1)B(O)O)C>>CC1=NC=CC(=C1)C1=CC=C(C=C1)CN | 5 |
[Cl:1][C:2]1[CH:25]=[CH:24][CH:23]=[CH:22][C:3]=1[C:4]([NH:6][CH:7]1[C:15]2[C:10](=[CH:11][CH:12]=[C:13]([C:16]([O:18]C)=[O:17])[CH:14]=2)[C:9]([CH3:21])([CH3:20])[CH2:8]1)=[O:5].[Li+].[OH-].C(O)(=O)CC(CC(O)=O)(C(O)=O)O>C1COCC1.CO.O>[Cl:1][C:2]1[CH:25]=[CH:24][CH:23]=[CH:22][C:3]=1[C:4]([NH:6][CH:7]1[C:15]2[C:10](=[CH:... | 1 |
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