smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
S.C(#N)C1(CC(N(CC1)CC1=CC=C(C=C1)F)=O)C1=CC=CC=C1>>FC1=CC=C(CN2C(CC(CC2)(C(N)=S)C2=CC=CC=C2)=O)C=C1 | 5 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[O:12][N:11]=[CH:10][C:9]=2[C:13]([OH:15])=O)=[CH:4][CH:3]=1.Cl.[NH:17]1[CH2:22][CH2:21][CH2:20][C@H:19]([C:23]([OH:26])([CH3:25])[CH3:24])[CH2:18]1.C(N(CC)CC)C>CN(C=O)C.O=S(Cl)Cl.C(Cl)Cl.C(OCC)C>[CH3:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[O:12][N:11]=[CH:10][C:9]=2[C:13]([N:17]2[CH2:22... | 2 |
C(C1=CC=CC=C1)(=O)Cl.N1CC(C1)COC1=CC(=C(C(=O)OC)C=C1C1CC1)F>ClCCl.CCN(CC)CC>C(C1=CC=CC=C1)(=O)N1CC(C1)COC1=CC(=C(C(=O)OC)C=C1C1CC1)F | 3 |
Cl.Cl.[N:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[CH2:9][C:10]([OH:12])=O.[C:13]1([NH2:20])[CH:18]=[CH:17][C:16]([NH2:19])=[CH:15][CH:14]=1.O.ON1C2C=CC=CC=2N=N1.Cl.CN(C)CCCN=C=NCC>CN(C)C=O.O.C(OCC)(=O)C>[NH2:19][C:16]1[CH:17]=[CH:18][C:13]([NH:20][C:10](=[O:12])[CH2:9][C:4]2[CH:5]=[CH:6][CH:7]=[CH:8][N:3]=2)=[CH:14][CH:15]... | 2 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5](/[CH:8]=[CH:9]/[C:10]2[N:11]=[C:12]([NH:15][C:16](=[O:18])[CH3:17])[S:13][CH:14]=2)=[CH:4][CH:3]=1.CS[C:21]1[S:22][CH2:23][CH2:24][N:25]=1>COCCO>[S:22]1[CH2:23][CH2:24][N:25]=[C:21]1[NH:1][C:2]1[CH:7]=[CH:6][C:5](/[CH:8]=[CH:9]/[C:10]2[N:11]=[C:12]([NH:15][C:16](=[O:18])[CH3:17])[S:13][C... | 1 |
Br[C:2]1[C:3]([O:8][C:9]2[CH:14]=[CH:13][C:12]([NH:15][C:16]3[CH:21]=[CH:20][C:19]([CH3:22])=[CH:18][N:17]=3)=[CH:11][CH:10]=2)=[N:4][CH:5]=[CH:6][CH:7]=1.[CH3:23][O:24][C:25]1[CH:30]=[C:29](B(O)O)[CH:28]=[CH:27][N:26]=1.C(=O)([O-])[O-].[Na+].[Na+]>COCCOC.O>[CH3:23][O:24][C:25]1[CH:30]=[C:29]([C:2]2[C:3]([O:8][C:9]3[CH... | 1 |
C(C)(=O)NNC(=O)C1=CC2=C(C(=NC=3C=CNC(C23)=O)C(C)C)C=C1>CC#N.[OH-].[Na+].P(=O)(Cl)(Cl)Cl>ClC1=C2C3=C(C(=NC2=CC=N1)C(C)C)C=CC(=C3)C=3OC(=NN3)C | 3 |
[NH2:1][N:2]1[CH2:7][CH2:6][N:5]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=2[O:14][CH3:15])[CH2:4][CH2:3]1.[Cl:16][C:17]1[CH:25]=[CH:24][C:20]([C:21](Cl)=[O:22])=[CH:19][C:18]=1[S:26](=[O:29])(=[O:28])[NH2:27]>C(N(CC)CC)C>[Cl:16][C:17]1[CH:25]=[CH:24][C:20]([C:21]([NH:1][N:2]2[CH2:3][CH2:4][N:5]([C:8]3[CH:13]=[CH:12][C... | 1 |
COC(CC1=CC2=CC=C(C=C2C(=C1C)B1OC(C(O1)(C)C)(C)C)Cl)=O.BrC1=CC=C(C=C1)SC1=C(C=C(C=C1)F)F>>COC(CC1=CC2=CC=C(C=C2C(=C1C)C1=CC=C(C=C1)SC1=C(C=C(C=C1)F)F)Cl)=O | 5 |
C(C=C)NC(OC(C)(C)C)=O.BrC=1C=NC(=NC1)C=1C=C(C=CC1)CO>N(C)(C)C=O.c3c(P(c1ccccc1)c2ccccc2)cccc3.[Cl-].C(CCC)[N+](CCCC)(CCCC)CCCC.C(C)(=O)[O-].[K+]>OCC=1C=C(C=CC1)C1=NC=C(C=N1)/C=C/CNC(OCCCC)=O | 3 |
C(C=C)Br.IC1=C(C=CC=C1)O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C=C)OC1=C(C=CC=C1)I | 3 |
C(C)OC(CC1=CC=C(C=C1)NC1=C2C(=NC(=C1)C=1N(C=CC1)C(=O)OC(C)(C)C)CCC2)=O>CO[H].ClCCl.N>N1C(=CC=C1)C1=CC(=C2C(=N1)CCC2)NC2=CC=C(C=C2)CC(=O)N | 3 |
OC1=CC=NC2=CC=CC=C12.FC=1C=CC(=C(C1)C(CC1(OC1)C(F)(F)F)(C)C)OC>>FC=1C=CC(=C(C1)C(CC(CN1C=CC(C2=CC=CC=C12)=O)(C(F)(F)F)O)(C)C)OC | 5 |
F[B-](F)(F)F.C(C)[O+](CC)CC.FC1=C(C=C2C=NNC2=C1)[N+](=O)[O-]>C(C)(=O)OCC.C(O)([O-])=O.[Na+]>FC=1C(=CC2=CN(N=C2C1)C)[N+](=O)[O-] | 3 |
C(C)(C)(C)OC(=O)N1C(CC(C1)=O)C(=O)OC.[I-].C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>>COC(=O)C1N(CC(C1)=C)C(=O)OC(C)(C)C | 5 |
COC=1C=C(CNC2=NC(=CC=3N2N=C(N3)C=3OC=CC3)COC3=C(C=CC=C3)C(C)(C)O)C=CC1OC>>NC1=NC(=CC=2N1N=C(N2)C=2OC=CC2)COC2=C(C=CC=C2)C(C)(C)O | 5 |
I[C:2]1[C:10]2[C:5](=[CH:6][CH:7]=[C:8]([NH:11][C:12](=[O:24])[CH:13]([N:19]3[CH2:23][CH2:22][CH2:21][CH2:20]3)[C:14]3[CH:18]=[CH:17][S:16][CH:15]=3)[CH:9]=2)[NH:4][N:3]=1.[O:25]1[CH2:28][CH:27]([N:29]2[CH2:34][CH2:33][CH:32]([O:35][C:36]3[CH:41]=[CH:40][C:39](B4OC(C)(C)C(C)(C)O4)=[CH:38][CH:37]=3)[CH2:31][CH2:30]2)[CH... | 2 |
C1(=CC=CC=C1)S(=O)(=O)OC.C1(CCCC1)NC(=O)C=1C(N(N(C1C=1N(C=CN1)C1=CC=C(C=C1)C#N)C)C1=CC(=CC=C1)C(F)(F)F)=O>ClCCl>C1(=CC=CC=C1)S(=O)(=O)[O-].C(#N)C1=CC=C(C=C1)N1C(=[N+](C=C1)C)C=1N(N(C(C1C(NC1CCCC1)=O)=O)C1=CC(=CC=C1)C(F)(F)F)C | 3 |
CC1=CC=C(S1)C=1C(=C2C=CC(=CC2=CC1)O)OC1=CC=C(C=C1)OCCN1CCCCC1>C1CCCO1.O=S(=O)(O)C.C(C)(=O)OCC>CS(=O)(=O)OC1=CC2=CC=C(C(=C2C=C1)OC1=CC=C(C=C1)OCCN1CCCCC1)C=1SC(=CC1)C | 3 |
[C:1]1(=[O:8])[CH2:6][CH2:5][CH2:4][C:3](=[O:7])[CH2:2]1.[C:9]1(C)C=CC=CC=1.C(OC)(OC)OC.O.O.C1(C)C=CC(S(O)(=O)=O)=CC=1>CO>[CH3:9][O:7][C:3]1[CH2:4][CH2:5][CH2:6][C:1](=[O:8])[CH:2]=1 | 1 |
C(C)C1OC(C2=CC=CC=3C2=C1C=CC3)=O>CC(C)C[AlH]CC(C)C.ClCCl.OC(=O)CC(O)(CC(O)=O)C(O)=O>C(C)C1OC(C2=CC=CC=3C2=C1C=CC3)O | 3 |
[C:1]([O:4][CH2:5][CH2:6]Br)(=[O:3])[CH3:2].[CH3:8][CH:9]1[C:17]2[C:12](=[CH:13][C:14]([NH:18][C:19](=O)[C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=3)=[CH:15][CH:16]=2)[C:11](=[O:27])[CH2:10]1.C(=O)([O-])[O-].[K+].[K+]>C(#N)C>[CH2:5]([O:4][C:1](=[O:3])[CH2:2][N:18]([CH2:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=... | 1 |
Cl[C:2]1[S:6][N:5]=[C:4]([CH3:7])[N:3]=1.[CH3:8][C:9]#[N:10].C[Si]([N-][Si](C)(C)C)(C)C.[Li+]>C1COCC1>[CH3:7][C:4]1[N:3]=[C:2]([CH2:8][C:9]#[N:10])[S:6][N:5]=1 | 2 |
C1(=CC=C(C=C1)S(=O)(=O)OC[C@H]1CO1)C.OC1=C(C=CC(=C1O)O)C(C)=O>>OC1=C(C=CC=2OCC(OC21)CO)C(C)=O | 5 |
ClC1=NC=NC(=C1OC)Cl.ClC=1C=CC=C2C=C(C(=NC12)C1=CC=CC=C1)CN>>ClC1=C(C(=NC=N1)NCC=1C(=NC2=C(C=CC=C2C1)Cl)C1=CC=CC=C1)OC | 5 |
C(C)(C)(C)OC(=O)N1CCC(CC1)N1N=CC(=C1)N.ClC1=NC=C(C(=N1)C1=CC2=C(OCCN2C(C)C)C(=C1)F)F>CO[H].[Pd+2].[O-]C(=O)C.[O-]C(=O)C.O1CCOCC1.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>FC=1C(=NC(=NC1)NC=1C=NN(C1)C1CCN(CC1)C(=O)OC(C)(C)C)C1=CC2=C(OCCN2C(C)C)... | 3 |
Cl.N(C(=N)N)C=1SC=C(N1)CCl.Cl.NCCCS>CCO[H].CC[O-].[Na+]>Cl.N(C(=N)N)C=1SC=C(N1)CSCCCN | 3 |
B1(OCCCO1)C2=CN=CC=C2.N1=C(C=CC=C1)C1=NOC(=N1)C=1C=NC=C(C1)Br>C([O-])([O-])=O.[Na+].[Na+].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>N1=C(C=CC=C1)C1=NOC(=N1)C=1C=NC=C(C1)C=1C=NC=CC1 | 3 |
Cl[C:2]1[CH:3]=[CH:4][C:5]([N+:8]([O-:10])=[O:9])=[N:6][CH:7]=1.[CH3:11][S-:12].[Na+]>C(O)C>[CH3:11][S:12][C:2]1[CH:3]=[CH:4][C:5]([N+:8]([O-:10])=[O:9])=[N:6][CH:7]=1 | 1 |
FC1C=C(C(C)(C)CC(O)(C(F)(F)F)C=O)C2OCCC=2C=1.[F:23][C:24]1[CH:25]=[C:26]([C:33]([CH3:55])([CH3:54])[CH2:34][C:35]([OH:53])([C:49]([F:52])([F:51])[F:50])[CH:36]=[N:37][C:38]2[CH:47]=[CH:46][CH:45]=[C:44]3[C:39]=2[CH:40]=[CH:41][NH:42][C:43]3=[O:48])[C:27]2[O:31][CH2:30][CH2:29][C:28]=2[CH:32]=1.[BH4-].[Na+]>>[F:23][C:24... | 1 |
S1N=C(C=C1)N[C@@H](CC(C)C)C(=O)OC>BrBr.ClCCl.C(C)(=O)O>BrC=1C(=NSC1)N[C@@H](CC(C)C)C(=O)OC | 3 |
C[O:2][C:3](=[O:38])[CH2:4][CH2:5]/[CH:6]=[CH:7]/[CH:8]1[O:37][C@H:11]2[CH2:12][C@@H:13]([O:30][CH:31]3[CH2:36][CH2:35][CH2:34][CH2:33][O:32]3)[C@H:14](/[CH:15]=[CH:16]/[C@@H:17]([O:23][CH:24]3[CH2:29][CH2:28][CH2:27][CH2:26][O:25]3)[CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[C@H:10]2[CH2:9]1.[OH-].[K+].C(O)(=O)C(O)=O>CO... | 1 |
OC=1C=C(C=CC1)CC(=O)OC.ClC1=CC=C(C(=N1)C)C=O>>COC(CC1=CC(=CC=C1)OC1=NC(=C(C=C1)C=O)C)=O | 5 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:9]#[C:10][C:11]2[CH:27]=[CH:26][C:14]3[S:15][C:16]([C:19]4[CH:24]=[CH:23][N:22]=[C:21]([NH2:25])[N:20]=4)=[C:17]([CH3:18])[C:13]=3[CH:12]=2)[CH:6]=[CH:7][CH:8]=1>[Pd].CO>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:6]=[CH:7][CH:8]=1)[CH2:9][CH2:10][C:11]1[CH:27]=[CH:26][C:14]2[S:15][C:16]([C:19]... | 2 |
C(C)C(CC1=CC=C(C=C1)C1=CSC=C1)CCCC>N(C)(C)C=O.BrN1C(CCC1=O)=O>BrC=1SC=CC1C1=CC=C(C=C1)CC(CCCC)CC | 3 |
N\C(\CC)=C(\C=C\C(=O)OCC)/C(=O)OC>CS(=O)C.CC(C)(C)[O-].[Na+]>C(C)C=1NC(C=CC1C(=O)OC)=O | 3 |
FC1=C(CNCCNC2CCN(CC2)C(=O)OC(C)(C)C)C=C(C(=C1)S(=O)(=O)C)F>>FC1=C(CN2C(N(CC2)C2CCN(CC2)C(=O)OC(C)(C)C)=O)C=C(C(=C1)S(=O)(=O)C)F | 5 |
C(C)(C)N1C(C2=CC=C(C=C2C=C1)C=1N=NN(C1C)C=1C=NC=CC1)=O>CCO[H].[HH].[Pd]>C(C)(C)N1C(C2=CC=C(C=C2CC1)C=1N=NN(C1C)C=1C=NC=CC1)=O | 3 |
BrC=1C=C2C(CC(C2=CC1)(C)C)(C)C>C1CCCO1.C(C)(C)(C)[Li].N(=NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C>CC1(CC(C2=CC(=CC=C12)N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)(C)C)C | 3 |
OC1=NC=CC=C1.BrC=1SC(=C(N1)C=1C=NN(C1)CC1=CC=C(C=C1)OC)C#N>>COC1=CC=C(CN2N=CC(=C2)C=2N=C(SC2C#N)OC2=NC=CC=C2)C=C1 | 5 |
C(C)(C)(C)C1=CC(=C(C=C1)C=1NC=2C=CN=C(C2C(C1)=O)C(=O)N)C>ClCCl.BrN1C(CCC1=O)=O.C(C)(=O)O>BrC1=C(NC=2C=CN=C(C2C1=O)C(=O)N)C1=C(C=C(C=C1)C(C)(C)C)C | 3 |
C#CCCCCC#C.CC1(C)OO1.[CH3:14][CH2:15][C:16]([N:20]=[N:21][C:22]([C:26]#[N:27])([CH2:24][CH3:25])[CH3:23])([C:18]#[N:19])[CH3:17]>>[CH3:17][CH:16]([CH2:15][CH3:14])[C:18]#[N:19].[CH3:25][CH2:24][C:22]([N:21]=[N:20][C:16]([C:18]#[N:19])([CH2:15][CH3:14])[CH3:17])([C:26]#[N:27])[CH3:23] | 2 |
ClC=1C(=C(C=C(C1)C1=CC=CC=C1)CNC(OCC1C2=CC=CC=C2C=2C=CC=CC12)=O)SC1=NC=CC=C1CO>C1CCCO1.ClCCl.[O-2].[O-2].[Mn+4]>ClC=1C(=C(C=C(C1)C1=CC=CC=C1)CNC(OCC1C2=CC=CC=C2C=2C=CC=CC12)=O)SC1=NC=CC=C1C=O | 3 |
OC1=C(C=C(C=C1OC)C)C1=C(C=CC2=CC=CC=C12)O.ClP1OC2=C(C3=C(O1)C=CC=C3)C=CC=C2>C1(=CC=CC=C1)C.CCN(CC)CC>C1=CC=CC=2OP(OC3=C(C21)C=CC=C3)OC3=C(C=C(C=C3OC)C)C3=C(C=CC2=CC=CC=C32)OP3OC2=C(C1=C(O3)C=CC=C1)C=CC=C2 | 3 |
[NH2:1][C:2]1[C:3]([OH:12])=[C:4]([CH:9]=[CH:10][CH:11]=1)[C:5]([O:7][CH3:8])=[O:6].[N:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.N1C=CC=C([C:25]2[CH:33]=[CH:32][C:28]([C:29](Cl)=[O:30])=[CH:27][CH:26]=2)C=1>C1(C)C=CC=CC=1>[OH:12][C:3]1[C:2]([NH:1][C:29](=[O:30])[C:28]2[CH:32]=[CH:33][C:25]([C:16]3[CH:17]=[CH:18][N:13... | 1 |
BrCC1CCOCC1.C(C)(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)NS(=O)(=O)CCC1=C(C=C(C=C1)F)O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)NS(=O)(=O)CCC1=C(C=C(C=C1)F)OCC1CCOCC1 | 3 |
[O:1]1[CH:5]=[CH:4][N:3]=[CH:2]1.C([Li])CCC.[C:11]1([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[CH:16]=[CH:15][CH:14]=[C:13]([O:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][C:24](Cl)=[O:25])[CH:12]=1.C(OCC)(=O)C>C1COCC1.[Cl-].[Cl-].[Zn+2]>[C:11]1([C:27]2[CH:28]=[CH:29][CH:30]=[CH:31][CH:32]=2)[CH:16]=[CH:15]... | 2 |
C(=O)OCC.C(C1=CC=CC=C1)N1N=CC=2C(CCCC12)=O>O.C1CCCO1.C(C)OCC.CCO[H].[H-].[Na+]>C(C1=CC=CC=C1)N1N=CC=2C(C(CCC12)=CO)=O | 3 |
CN1CCN(CC1)C1=CC=C(N)C=C1.OC=C1C(NC2=CC(=CC=C12)C(=O)C=1C=C(C=CC1)NC(=O)C1=NN(C=C1Cl)CC)=O>C1CCCO1>CN1CCN(CC1)C1=CC=C(C=C1)NC=C1C(NC2=CC(=CC=C12)C(=O)C=1C=C(C=CC1)NC(=O)C1=NN(C=C1Cl)CC)=O | 3 |
C(C)(=O)OC1=C(C(=C(C=C1)Br)C)CBr.BrC1=CC=CC(=N1)OCC1=C(C=C(C#N)C=C1)CCO>ClCCl.C(C)(C)(C)C1=NC(=CC=C1)C(C)(C)C.[O-]S(=O)(=O)C(F)(F)F.[Ag+]>BrC1=CC(=C(C=C1)CC(=O)OC)COCCC1=C(C=CC(=C1)C#N)COC1=NC(=CC=C1)Br | 3 |
Br.[NH+]1C=CC=CC=1.C[O:9][C:10]1[CH:15]=[CH:14][C:13]([CH:16]2[CH2:21][CH2:20][NH:19][CH2:18][CH2:17]2)=[C:12]([S:22][CH3:23])[CH:11]=1.[OH-].[K+]>O.CCO>[OH:9][C:10]1[CH:15]=[CH:14][C:13]([CH:16]2[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]2)=[C:12]([S:22][CH3:23])[CH:11]=1 | 1 |
CON(C)[C:4](=[O:18])[C@@H:5]([NH:7][C:8](=[O:17])[O:9][CH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)[CH3:6].[CH3:20][Mg]Br.C1COCC1.C1(C)C=CC=CC=1.O>C1COCC1>[O:18]=[C:4]([CH3:20])[C@@H:5]([NH:7][C:8](=[O:17])[O:9][CH2:10][C:11]1[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=1)[CH3:6] | 1 |
O1CC(C1)OC=1C=CC(=NC1)C#N>CC#N.O.CO[H].C[O-].[Na+].[Cl-].[NH4+]>O1CC(C1)OC=1C=CC(=NC1)C(N)=N | 3 |
ClC1=CC=C2C=CN(C(C2=C1)=O)[C@@H]1O[C@@H]([C@H]2OC(O[C@H]21)OC)CO>C1(=CC=NC=C1)N(C)C.ClCCl.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>ClC1=CC=C2C=CN(C(C2=C1)=O)[C@@H]1O[C@@H]([C@@H]2[C@H]1OC(O2)OC)COS(=O)(=O)C2=CC=C(C=C2)C | 3 |
C(C)(C)(C)N=C=S.N[C@H](CO)CC1CCCCC1>CCO[H]>C(C)(C)(C)NC(=S)N[C@H](CO)CC1CCCCC1 | 3 |
[H-].[Na+].[Br:3][C:4]1[C:15](=[O:16])[NH:14][C:7]2[N:8]=[C:9]([S:12][CH3:13])[N:10]=[CH:11][C:6]=2[CH:5]=1.[CH2:17](Br)[CH3:18]>CN(C)C=O>[Br:3][C:4]1[C:15](=[O:16])[N:14]([CH2:17][CH3:18])[C:7]2[N:8]=[C:9]([S:12][CH3:13])[N:10]=[CH:11][C:6]=2[CH:5]=1 | 1 |
Cl[Si](C)(C)C.ClCC(C)O>>ClCC(O[Si](C)(C)C)C | 5 |
[CH2:1]([Zn]CC)C.[CH3:6][C:7]1[O:12][CH2:11][N:10]([C:13]([CH3:21])([CH:15]([OH:20])[CH2:16][C:17]([CH3:19])=[CH2:18])[CH3:14])[C:9](=[O:22])[C:8]=1[C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1.ICI.Cl.[Cr](Cl)([O-])(=O)=O.[NH+]1C=CC=CC=1>CCCCCC.ClCCl.CCOCC>[CH3:6][C:7]1[O:12][CH2:11][N:10]([C:13]([CH3:14])([C:15](=[O:... | 1 |
[F:1][C:2]1[CH:10]=[C:9]2[C:5]([CH2:6][O:7][C:8]2=[O:11])=[C:4](/[N:12]=[CH:13]/[C:14]2[CH:19]=[CH:18][C:17]([F:20])=[CH:16][CH:15]=2)[CH:3]=1.[CH3:21][N:22]1[C:26]([CH:27]=O)=[N:25][CH:24]=[N:23]1.[CH3:29][CH2:30][O-:31].[Na+]>C(OCC)(=O)CC>[F:1][C:2]1[CH:10]=[C:9]([C:8]([O:7][CH2:6][CH3:5])=[O:11])[C:29]2[C:30](=[O:31... | 1 |
C(C)OC(=C)C1=NN2C(=NN(C(C2=C1)=O)CC(=O)OCC)C(C)C>C1CCCO1.Cl>C(C)(=O)C1=NN2C(=NN(C(C2=C1)=O)CC(=O)OCC)C(C)C | 3 |
[C:1](OC)(=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:11]([NH2:14])[CH2:12][NH2:13]>>[C:2]1([C:1]2[NH:13][CH2:12][CH2:11][N:14]=2)[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
[C:1]([CH2:4][C:5]1[O:6][C:7]([SH:10])=[N:8][N:9]=1)([OH:3])=[O:2].CC(O[CH2:15][C:16]1[CH2:25][S:24][C@@H:19]2[C@H:20]([NH2:23])[C:21](=[O:22])[N:18]2[C:17]=1[C:26]([OH:28])=[O:27])=O.C(=O)(O)[O-].[Na+].C(=O)([O-])[O-].[Na+].[Na+]>CC(C)=O.O>[NH2:23][CH:20]1[C:21](=[O:22])[N:18]2[C:17]([C:26]([OH:28])=[O:27])=[C:16]([CH... | 1 |
C(C1=CC=CC=C1)OC(=O)N1[C@@H](C[C@H](C1)OC(C)(C)C)C(NC1=C(C=CC=C1)Br)=O>>C(C1=CC=CC=C1)OC(=O)N1[C@@H](C[C@H](C1)OC(C)(C)C)C=1OC2=C(N1)C=CC=C2 | 5 |
[CH3:1][O:2][C:3](=[O:35])[C:4]1[CH:13]=[CH:12][C:11]([CH2:14][N:15]2[CH:20]([C:21]3[C:26]([CH3:27])=[CH:25][CH:24]=[CH:23][N:22]=3)[CH2:19][CH2:18][CH2:17][CH:16]2[C:28]2[C:33]([CH3:34])=[CH:32][CH:31]=[CH:30][N:29]=2)=[C:6]([C:7]([O:9][CH3:10])=[O:8])[CH:5]=1>C1COCC1.CO.[OH-].[Na+]>[CH3:1][O:2][C:3](=[O:35])[C:4]1[CH... | 2 |
CSCCCl.ClC1=C(C(=CC(=C1)C(F)(F)F)Cl)N1N=C(C(=C1NC)S(=O)C(F)(F)F)C#N>CC#N.O.C([O-])([O-])=O.[K+].[K+]>ClC1=C(C(=CC(=C1)C(F)(F)F)Cl)N1N=C(C(=C1N(CCSC)C)S(=O)C(F)(F)F)C#N | 3 |
C(C1=CC=CC=C1)N.C[N+](=O)([O-]).S1C=C(C=C1)C=O>C(C)(C)O.C(C)(=O)O>[N+](=O)([O-])C=CC1=CSC=C1 | 3 |
COCOC=1C=CC=2[C@H]3CC[C@@]4([C@H](CC[C@H]4[C@@H]3[C@@H](CC2C1)CCCCOCCOCCOCC(=O)OC(C)(C)C)OCOC)C>>OC=1C=CC=2[C@H]3CC[C@@]4([C@H](CC[C@H]4[C@@H]3[C@@H](CC2C1)CCCCOCCOCCOCC(=O)O)O)C | 5 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.FC1(CN(C1)[C@@H]1CC[C@H](CC1)N)F.Cl.N1CC(C1)OC1=CC=CC2=C1N=CS2>ClCCl.C(C)(C)N(C(C)C)CC>S1C=NC2=C1C=CC=C2OC2CN(C2)C(=O)N[C@@H]2CC[C@H](CC2)N2CC(C2)(F)F | 3 |
C(C)(=O)OC(C)=O.OC(=O)C(F)(F)F.FC(CNC1=C(N=C2C(=N1)CNCC2)N2CCC(CC2)OC2=C(C=C(C=C2)F)F)F>>FC(CNC1=C(N=C2C(=N1)CN(CC2)C(C)=O)N2CCC(CC2)OC2=C(C=C(C=C2)F)F)F | 5 |
[C:1]([C:4]([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])([CH2:13][C:14]#[C:15][CH2:16][CH3:17])[CH:5]([CH:11]=O)[CH2:6][C:7]([O:9][CH3:10])=[O:8])(=[O:3])[CH3:2]>C1C=CC=CC=1.C(O)(=O)C.N1CCCCC1>[C:21]([O:20][C:18]([C:4]1([CH2:13][C:14]#[C:15][CH2:16][CH3:17])[C:1](=[O:3])[CH:2]=[CH:11][CH:5]1[CH2:6][C:7]([O:... | 1 |
Cl.Cl.C(OC1C=CC([CH:17]([N:26]2[CH2:31][CH2:30][CH2:29][C@@H:28]([N:32]([CH3:34])[CH3:33])[CH2:27]2)[CH2:18][C:19]2([OH:25])[CH2:24][CH2:23][CH2:22][CH2:21][CH2:20]2)=CC=1[Cl:35])C1C=CC=CC=1.N[C@@H]1CCCN(CC(C2(O)CCCCC2)[C:45]2[CH:50]=[CH:49][C:48]([O:51][CH2:52][C:53]3[CH:58]=[CH:57][CH:56]=[CH:55][CH:54]=3)=[C:47]([Cl... | 2 |
C(C=C)OC1=CC=C2C(=CC(OC2=C1)=O)C>>C(C=C)C=1C(=CC=C2C(=CC(OC12)=O)C)O | 5 |
[N-]=[N+]=C.COCOC1=CC=C(C([C@H](N(SC2=C(C=CC=C2)[N+](=O)[O-])C)C(=O)O)O)C=C1>C(C)OCC.C(C)(=O)OCC>COC([C@@H](N(SC1=C(C=CC=C1)[N+](=O)[O-])C)C(C1=CC=C(C=C1)OCOC)O)=O | 3 |
C(C1=CC=CC=C1)ON1[C@@H]2CC[C@H](N(C1=O)C2)C(=O)NNC(CC)=O>CO[H].[HH].[Pd]>ON1[C@@H]2CC[C@H](N(C1=O)C2)C(=O)NNC(CC)=O | 3 |
BrC1=C(C=C(C#N)C=C1C)C>CCN(CC)CC.CCO[H].Cl.NO>BrC1=C(C=C(C(=N)NO)C=C1C)C | 3 |
C(C#C)Br.ClC1=CC(=C(C=C1O)N1C(N(C(=CC1=O)C(F)(F)F)C)=O)F>CC#N.C1(=CC=CC=C1)C.C([O-])([O-])=O.[K+].[K+]>ClC1=CC(=C(C=C1OCC#C)N1C(N(C(=CC1=O)C(F)(F)F)C)=O)F | 3 |
BrC1=CC(=C(C(=C1)C)NC(=O)NC=1C(=CC2=CC=CC=C2C1)C(=O)N[C@H](C(=O)OC)C1CCCCC1)C>C1(=CC=CC=C1)C.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=C)[Sn](CCCC)(CCCC)CCCC>C1(CCCCC1)[C@@H](C(=O)OC)NC(=O)C1=CC2=CC=CC=C2C=C1NC(=O)NC1=C(C=C(... | 3 |
[C-]#N.[Zn+2].[C-]#N.ClC1=NC=NC(=C1)C1=CC=C(C=C1)OC(F)(F)F>N(C)(C)C=O.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>FC(OC1=CC=C(C=C1)C1=CC(=NC=N1)C#N)(F)F | 3 |
FC1=C(C=C(N)C=C1)C#N.BrC1=C(N(C=C1S(NC(C=C)C(F)F)(=O)=O)C)C(=O)OC>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].[Cl-].[NH4+]>BrC1=C(N(C=C1S(NC(C=C)C(F)F)(=O)=O)C)C(=O)NC1=CC(=C(C=C1)F)C#N | 3 |
C(C)NCC(=O)O.NCCC#N.C(C)S(=O)(=O)N1C2=CC=C(C=C2C=2CC(CCC12)C1CCOCC1)C(=O)O>>C(#N)CCNC(CN(C(=O)C=1C=C2C=3CC(CCC3N(C2=CC1)S(=O)(=O)CC)C1CCOCC1)CC)=O | 5 |
[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C:7]([OH:9])=[O:8].O([C:17]1[C:18]2[C:23]([N:24]=[C:25]3[C:30]=1[CH:29]=[CH:28][CH:27]=[CH:26]3)=[CH:22][CH:21]=[CH:20][CH:19]=2)C1C=CC=CC=1.CCOCC>C1(O)C=CC=CC=1>[C:7]([CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][NH:1][C:17]1[C:18]2[C:23]([N:24]=[C:25]3[C:30]=1[CH:29]=[CH:28][CH:27]=[C... | 1 |
BrCCC1OCCO1.FC1=CC=C2N=CC(NC2=C1)=O>>O1C(OCC1)CCN1C(C=NC2=CC=C(C=C12)F)=O | 5 |
ClC(C(=O)OCC)C(=O)C.OC1=CC(=CC2=C1SC=C2)C(N)=S>>C(C)OC(=O)C1=C(N=C(S1)C1=CC2=C(SC=C2)C(=C1)O)C | 5 |
N1CCC1.BrC1=NC(=CN=C1)Br>CO[H].CCN(CC)CC>N1(CCC1)C1=NC(=CN=C1)Br | 3 |
C(C1=CC=CC=C1)Br.N1C=C(C=2C1=NC=CC2)C2=CNC1=CN=CC=C12>N(C)(C)C=O.[H-].[Na+]>C(C1=CC=CC=C1)N1C=C(C=2C1=NC=CC2)C2=CNC1=CN=CC=C12 | 3 |
[CH2:1]([N:8]1[CH2:12][CH:11]([CH:13]=[O:14])[CH:10]([CH2:15][N:16]2[CH2:21][CH2:20][CH:19]([C:22]3[CH:27]=[CH:26][C:25]([F:28])=[CH:24][CH:23]=3)[CH2:18][CH2:17]2)[CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:29](O)[CH2:30][OH:31].CC1C=CC(S(O)(=O)=[O:41])=CC=1.O>C1C=CC=CC=1.CCOCC>[CH2:1]([N:8]1[CH2:12][CH:11]... | 1 |
C(C)(C)(C)OC(=O)N(C)CC1=C(C=CC(=C1)NC(=O)OC(C)(C)C)C1(CC1)C(=O)OCC>>Cl.NC1=CC(=C(C=C1)C1(CC1)C(=O)OCC)CNC | 5 |
[F:1][C:2]1[CH:10]=[CH:9][C:8]([N+:11]([O-:13])=[O:12])=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].Cl.[CH3:15]O>>[F:1][C:2]1[CH:10]=[CH:9][C:8]([N+:11]([O-:13])=[O:12])=[CH:7][C:3]=1[C:4]([O:6][CH3:15])=[O:5] | 1 |
BrC1=NC(=CC=C1)C1=CC=CC=C1.NC=1C(=NOC1C1=CC=C(C=C1)C1=CC=C(C=C1)C1(CC1)C(=O)NS(=O)(=O)C)C>>CC1=NOC(=C1NC1=NC(=CC=C1)C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1(CC1)C(=O)NS(=O)(=O)C | 5 |
[NH2:1][C:2]1[CH:3]=[N:4][N:5]([C:7]2[CH:12]=[CH:11][C:10]([CH3:13])=[CH:9][CH:8]=2)[CH:6]=1.C(N(CC)CC)C.Cl[C:22]([O:24][CH2:25][C:26]([Cl:29])([Cl:28])[Cl:27])=[O:23]>C(Cl)Cl>[Cl:27][C:26]([Cl:29])([Cl:28])[CH2:25][O:24][C:22](=[O:23])[NH:1][C:2]1[CH:3]=[N:4][N:5]([C:7]2[CH:12]=[CH:11][C:10]([CH3:13])=[CH:9][CH:8]=2)[... | 1 |
N1C(C)=CC=CC=1C.[Si:9]([O:16]S(C(F)(F)F)(=O)=O)([C:12]([CH3:15])([CH3:14])[CH3:13])([CH3:11])[CH3:10].[C:24]([O:28][C:29]([N:31]1[CH2:35][C@H:34]([F:36])[CH2:33][C@@H:32]1[C@@H:37](O)[C@H:38]([CH2:50][C:51]1[CH:56]=[CH:55][CH:54]=[CH:53][CH:52]=1)[C:39]([N:41]1[C@@H:45]([CH:46]([CH3:48])[CH3:47])[CH2:44][O:43][C:42]1=[... | 1 |
ClC(COC(=O)[C@H]1NN(CCC1)C([C@H](CC1=CC(=CC=C1)O[Si](C)(C)C(C)(C)C)NC([C@H](C(C)C)NC(=O)OC(C)(C)C)=O)=O)(Cl)Cl>ClCCl.C(C)(C)N(C(C)C)CC.FC(S(=O)(=O)O[Si](C)(C)C)(F)F>ClC(COC(=O)[C@H]1NN(CCC1)C([C@H](CC1=CC(=CC=C1)O[Si](C)(C)C(C)(C)C)NC([C@H](C(C)C)N)=O)=O)(Cl)Cl | 3 |
[N:1]([CH2:4][C:5]1[C:6]([CH2:11][CH3:12])=[N:7][CH:8]=[CH:9][CH:10]=1)=[N+]=[N-]>[Pd]>[CH2:11]([C:6]1[C:5]([CH2:4][NH2:1])=[CH:10][CH:9]=[CH:8][N:7]=1)[CH3:12] | 1 |
[Cl:1][C:2]1[CH:3]=[N:4][C:5]2[N:6]([N:8]=[C:9]([C:11]([OH:13])=O)[CH:10]=2)[CH:7]=1.[CH3:14][N:15]1[C:24]2[C:19](=[CH:20][CH:21]=[C:22]([CH3:25])[CH:23]=2)[CH2:18][CH2:17][NH:16]1>>[Cl:1][C:2]1[CH:3]=[N:4][C:5]2[N:6]([N:8]=[C:9]([C:11]([N:16]3[CH2:17][CH2:18][C:19]4[C:24](=[CH:23][C:22]([CH3:25])=[CH:21][CH:20]=4)[N:1... | 2 |
BrC=1C=NC=CC1.C(C1=CC=CC=C1)N1CCCC12CNCC2>>C(C1=CC=CC=C1)N1CCCC12CN(CC2)C=2C=NC=CC2 | 5 |
[C:1]([O:5][C:6](=[O:17])[NH:7][C:8]1[CH:13]=[C:12]([O:14][CH3:15])[CH:11]=[CH:10][C:9]=1[NH2:16])([CH3:4])([CH3:3])[CH3:2].C([O:22][C:23](=O)[CH2:24][C:25](=[O:38])[C:26]1[CH:31]=[CH:30][CH:29]=[C:28]([C:32]2[CH:33]=[N:34][CH:35]=[CH:36][CH:37]=2)[CH:27]=1)(C)(C)C>>[C:1]([O:5][C:6](=[O:17])[NH:7][C:8]1[CH:13]=[C:12]([... | 1 |
BrC1=CC=C(C=C1)N1CCNCC1>>BrC1=CC=C(C=C1)N1CCN(CC1)C(C)C | 5 |
N1C=CC=CC=1.[C:7](OC(=O)C)(=[O:9])[CH3:8].[C:14]([N:21]1[CH2:28][CH2:27][C@@H:26]([OH:29])[C@H:22]1[C:23]([OH:25])=[O:24])([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15].Cl>O>[C:7]([O:29][C@@H:26]1[CH2:27][CH2:28][N:21]([C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])[C@@H:22]1[C:23]([OH:25])=[O:24])(=[O:9])[... | 1 |
CC(C)S(=O)(=O)Cl.[N+](=O)([O-])C1=C2C=NNC2=CC=C1>N(C)(C)C=O.[H-].[Na+]>C(C)(C)S(=O)(=O)N1N=CC=2C(=CC=CC12)N | 3 |
FC1=C(CC2=CC(=NO2)C(=O)O)C=C(C=C1)F.Cl.ClC=1C=C2C(=C(NC2=CC1)C)CCN>>ClC=1C=C2C(=C(NC2=CC1)C)CCNC(=O)C1=NOC(=C1)CC1=C(C=CC(=C1)F)F | 5 |
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