smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
NC1=CC=C(OCCN2CCN(CC2)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C)C=C1>ClCCl.c1ccncc1.Cl.CS(=O)(=O)Cl>CS(=O)(=O)NC1=CC=C(OCCN2CCN(CC2)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C)C=C1 | 3 |
C1(CCCC1)N[C@@H]1C[C@@H](N(C2=CC=CC=C12)C(C1=CC=C(C=C1)OC)=O)C>ClCCl.C(C)(=O)Cl.C(C)(C)N(C(C)C)CC>C1(CCCC1)N(C(C)=O)[C@@H]1C[C@@H](N(C2=CC=CC=C12)C(C1=CC=C(C=C1)OC)=O)C | 3 |
C1[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]([O:21][C@H:22]2[O:27][C@H:26]([CH2:28][OH:29])[C@@H:25]([OH:30])[C@H:24](N)[C@H:23]2[OH:32])[C@@H]1N.C1[C@H](N)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@H]2O)[C@@... | 2 |
[CH3:1][O:2][CH:3]1[CH2:8][CH2:7][CH:6]([C:9]([C:11]2[S:15][C:14]([NH2:16])=[N:13][C:12]=2[C:17]2[O:18][CH:19]=[CH:20][CH:21]=2)=[O:10])[CH2:5][CH2:4]1.[C:22](O)(=[O:29])[C:23]1[CH:28]=[CH:27][N:26]=[CH:25][CH:24]=1.CCN=C=NCCCN(C)C.Cl.O.ON1C2C=CC=CC=2N=N1>C1COCC1.O>[O:18]1[CH:19]=[CH:20][CH:21]=[C:17]1[C:12]1[N:13]=[C:... | 1 |
CN(C(OC(C)(C)C)=O)CCNC>O.ClCCl.C(C)(=O)OC(C)=O.CN(C)C>CN(C(OC(C)(C)C)=O)CCN(C(C)=O)C | 3 |
FC1=C(C=CC=C1)C#CC1=CC=C(C(=O)NCC2(CCOCC2)C(=O)OCC)C=C1>O.C1CCCO1.CO[H].O[Li].O>FC1=C(C=CC=C1)C#CC1=CC=C(C(=O)NCC2(CCOCC2)C(=O)O)C=C1 | 3 |
[C:1]([C:3]1[C:11]2[S:10][N:9]=[N:8][C:7]=2[CH:6]=[CH:5][CH:4]=1)#[N:2].[H][H]>CO.[Ni]>[NH2:2][CH2:1][C:3]1[C:11]2[S:10][N:9]=[N:8][C:7]=2[CH:6]=[CH:5][CH:4]=1 | 1 |
[CH3:1][N:2]([CH3:27])[CH2:3][CH2:4][CH2:5][NH:6][C:7]1[S:8][C:9](=[CH:13][C:14]2[CH:19]=[CH:18][C:17]([N:20]3[CH2:25][CH2:24][C:23](=O)[CH2:22][CH2:21]3)=[CH:16][CH:15]=2)[C:10](=[O:12])[N:11]=1.[NH2:28][CH2:29][C@H:30]([OH:39])[CH2:31][O:32][C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1>>[CH3:27][N:2]([CH3:1])[CH2:3]... | 1 |
[C:1](Cl)(Cl)=[O:2].[Br:5][C:6]1[CH:7]=[N:8][C:9]([O:12][C:13]2[CH:19]=[CH:18][C:16]([NH2:17])=[CH:15][C:14]=2[Cl:20])=[N:10][CH:11]=1>C(OCC)(=O)C>[Br:5][C:6]1[CH:11]=[N:10][C:9]([O:12][C:13]2[CH:19]=[CH:18][C:16]([N:17]=[C:1]=[O:2])=[CH:15][C:14]=2[Cl:20])=[N:8][CH:7]=1 | 1 |
CI.IC1=C(C=C2C=CNC2=C1)F>>FC=1C=C2C=CN(C2=CC1I)C | 5 |
[NH2:1][C:2]1[CH:3]=[C:4]([C:15]2[O:19][N:18]=[C:17]([C:20]3[CH:29]=[CH:28][C:23]([C:24]([O:26][CH3:27])=[O:25])=[C:22]([F:30])[CH:21]=3)[N:16]=2)[CH:5]=[CH:6][C:7]=1[N:8]1[CH2:13][CH2:12][CH2:11][CH2:10][CH:9]1[CH3:14].[CH2:31]([S:34](Cl)(=[O:36])=[O:35])[CH2:32][CH3:33]>CCOC(C)=O>[CH2:31]([S:34]([NH:1][C:2]1[CH:3]=[C... | 1 |
CN1CCC(CC1)CC(=O)O.FC1=CC(=C2C=CC=NC2=C1C#N)[C@@H]1CNCC(C1)C>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>FC1=CC(=C2C=CC=NC2=C1C#N)[C@@H]1CN(C[C@@H](C1)C)C(CC1CCN(CC1)C)=O | 3 |
C(C)(C)(C)OC(=O)N[C@@H](CC(=O)N)C1=CC=CC=C1>C1CCCO1.CC(=O)C.B.C1CCOC1>OCC[C@@H](C1=CC=CC=C1)NC(OC(C)(C)C)=O | 3 |
NC1=C(C=C(C=N1)C=1C=NN(C1)C1CCN(CC1)C(=O)OC(C)(C)C)C=1OC2=C(N1)C=CC=C2CO>>NC1=NC=C(C=C1C=1OC2=C(N1)C=CC=C2CO)C=2C=NN(C2)C2CCNCC2 | 5 |
[CH2:1](O)[CH2:2][CH2:3][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:18][CH2:19][CH3:20].S(Cl)(C)(=O)=O.O.[N-:28]=[N+:29]=[N-:30].[Na+]>N1C=CC=CC=1.CN(C=O)C>[CH2:1]([N:28]=[N+:29]=[N-:30])[CH2:2][CH2:3][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2... | 1 |
[O:1]1[C:5]2[CH:6]=[CH:7][C:8]([C:10]3[S:11][CH:12]=[C:13]([C:15]([OH:17])=O)[N:14]=3)=[CH:9][C:4]=2[CH2:3][CH2:2]1.[NH2:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][N:20]=1.F[P-](F)(F)(F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2C=CC=CC=2N=N1.C(N(CC)C(C)C)(C)C>CN(C)C=O.CN(C)C1C=CN=CC=1>[O:1]1[C:5]2[CH:6]=[CH:7][C:8]([C:10]3[S:11][CH:1... | 2 |
[CH3:1][N:2]1[CH2:7][CH2:6][N:5]([C:8]2[C:13]([CH:14]=[C:15]3[CH2:19][CH2:18][NH:17][C:16]3=[O:20])=[CH:12][CH:11]=[CH:10][N:9]=2)[CH2:4][CH2:3]1>C(O)C.[Pd]>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([C:8]2[C:13]([CH2:14][CH:15]3[CH2:19][CH2:18][NH:17][C:16]3=[O:20])=[CH:12][CH:11]=[CH:10][N:9]=2)[CH2:6][CH2:7]1 | 2 |
[I:1]I.N1C=CN=C1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.[C:27]1([CH2:33][S:34]([CH2:37][CH2:38][CH2:39][CH2:40]O)(=[O:36])=[O:35])[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1>C(Cl)Cl>[I:1][CH2:40][CH2:39][CH2:38][CH2:37][S:34]([CH2:33][C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1)(=[O:36])=[O:35] | 1 |
[N+](=O)([O-])C1=CC=C(C=C1)O.C1(CCCC1)O>>P(=O)(OC1CCCC1)(OC1=CC=C(C=C1)[N+](=O)[O-])OC1=CC=C(C=C1)[N+](=O)[O-] | 5 |
[OH:1][C:2]1[N:7]=[CH:6][C:5]([C:8]([OH:10])=[O:9])=[CH:4][CH:3]=1.[CH2:11](Br)[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18].[OH-].[K+]>C(O)C>[CH2:11]([O:1][C:2]1[N:7]=[CH:6][C:5]([C:8]([OH:10])=[O:9])=[CH:4][CH:3]=1)[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18] | 1 |
[Cl:1][C:2]1[CH:7]=[C:6](/[CH:8]=[CH:9]/[CH:10]([C:15]2[CH:20]=[C:19]([Cl:21])[C:18]([Cl:22])=[C:17]([Cl:23])[CH:16]=2)[C:11]([F:14])([F:13])[F:12])[CH:5]=[CH:4][C:3]=1[CH2:24][NH2:25].CCN(CC)CC.[CH3:33][N:34]([CH3:38])[C:35](Cl)=[O:36]>C(Cl)Cl>[Cl:1][C:2]1[CH:7]=[C:6](/[CH:8]=[CH:9]/[CH:10]([C:15]2[CH:20]=[C:19]([Cl:2... | 1 |
NC1=CC=C(C=C1)O.ClC1=CC=C(C=C1)C1CCNCC1>N(C)(C)C=O.C(=O)(C=1NC=CN1)C=1NC=CN1.C(C)(C)N(C(C)C)CC>OC1=CC=C(C=C1)NC(=O)N1CCC(CC1)C1=CC=C(C=C1)Cl | 3 |
N(=[N+]=[N-])CCCS(=O)(=O)Cl.[N+](=O)([O-])C=1N(C=CN1)CC(CO)OC1OCCCC1>>N(=[N+]=[N-])CCCS(=O)(=O)OCC(CN1C(=NC=C1)[N+](=O)[O-])OC1OCCCC1 | 5 |
C([O:3][C:4](=[O:44])[CH:5]([C:10]1[CH:11]=[C:12]([C:34]2[CH:39]=[CH:38][C:37]([C:40]([F:43])([F:42])[F:41])=[CH:36][CH:35]=2)[CH:13]=[C:14]([CH:16]2[CH2:21][CH2:20][CH2:19][N:18]([CH2:22][C:23]3[CH:28]=[CH:27][C:26]([N:29]4[CH:33]=[CH:32][CH:31]=[CH:30]4)=[CH:25][CH:24]=3)[CH2:17]2)[CH:15]=1)[CH2:6][CH:7]([CH3:9])[CH3... | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([C:14]2[CH:19]=[CH:18][CH:17]=[C:16]([C:20](O)=[O:21])[N:15]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH3:23][NH:24][C@H:25]1[C:34]2[C:29](=[CH:30][CH:31]=[CH:32][CH:33]=2)[CH2:28][CH2:27][CH2:26]1.C(N(C(C)C)CC)(C)C.F[P-](F)(F)(F)(F)F.N1(O[P+](N(C)C)(N(C)C)N(C)... | 1 |
[C:1]([N:8]([CH3:20])[C@H:9]([C:17]([OH:19])=O)[CH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2].Cl.[CH3:22][O:23][C:24](=[O:31])[C@@H:25]([C:27]([SH:30])([CH3:29])[CH3:28])[NH2:26]>>[CH3:7][C:4]([CH3:5])([O:3][C:1]([N:8]([CH3:20])[C@H:9]([C:17]([NH:26][C@@H:25]([C:24]([... | 1 |
[Si](C)(C)(C(C)(C)C)OCCO[C@H]1[C@@](CN(CC1)C1=NC=CC(=N1)N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)(C)F>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>C[Si](CCOCN(C1=NC(=NC=C1)N1C[C@]([C@@H](CC1)OCCO)(C)F)COCC[Si](C)(C)C)(C)C | 3 |
BrC1=CC(=C2C(=CN=NC2=C1)Cl)OC>C(Cl)(Cl)(Cl)[H].CC1=CC=C(C=C1)S(=O)(=O)NN>BrC1=CC(=C2C(=CN=NC2=C1)NNS(=O)(=O)C1=CC=C(C=C1)C)OC | 3 |
O=S1(NCCOC2=C1C=CC(=C2)OC=2C=C(C=C(C2)O[C@H](COC)C)C(=O)NC2=NN(C=C2)C(=O)OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>O=S1(NCCOC2=C1C=CC(=C2)OC=2C=C(C(=O)NC1=NNC=C1)C=C(C2)O[C@H](COC)C)=O | 3 |
[CH2:1]([C@H:8]1[CH2:12][O:11][C:10](=[O:13])[N:9]1[C:14](=[O:28])[CH:15]=[C:16]([C:21]1[CH:26]=[CH:25][C:24]([F:27])=[CH:23][CH:22]=1)[C:17]([F:20])([F:19])[F:18])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1>CCO.[Pd]>[CH2:1]([C@H:8]1[CH2:12][O:11][C:10](=[O:13])[N:9]1[C:14](=[O:28])[CH2:15][CH:16]([C:21]1[CH:22]=[CH:23][C... | 2 |
C(C=1C(=CC=CC1)OC)=O.C(C)[Zn]CC>C1(=CC=CC=C1)C.O.[Cl-].[NH4+]>COC1=C(C=CC=C1)[C@H](CC)O | 3 |
[C:1]([O:5][C:6]([N:8]1[CH:13]([CH2:14][CH3:15])[CH2:12][C:11](=O)[CH2:10][CH:9]1[CH2:17][C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH2:24]([NH2:31])[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1.C(O)(=O)C.[OH-].[Na+]>ClCCCl>[C:1]([O:5][C:6]([N:8]1[CH:13]([CH2:14][CH3:15])[CH2:12][... | 2 |
[Cl:1][CH2:2][C:3](=[O:9])[CH2:4][C:5](OC)=[O:6].[CH:10]([OH:13])([CH3:12])[CH3:11]>CN(C)C1C=CN=CC=1.C1(C)C=CC=CC=1>[Cl:1][CH2:2][C:3](=[O:9])[CH2:4][C:5]([O:13][CH:10]([CH3:12])[CH3:11])=[O:6] | 2 |
BrCCCBr.N1N=CC2=CC=CC=C12>N(C)(C)C=O.[OH-].[K+]>BrCCCN1N=CC2=CC=CC=C12 | 3 |
ClC1=NC(=CC(=C1)CO)OC>>Cl.ClC1=NC(=CC(=C1)CCl)OC | 5 |
C(C=C)O.ClC1=NC=CN=C1Cl>CS(=O)C.[H-].[Na+]>C(C=C)OC1=NC=CN=C1Cl | 3 |
[Cl:1][C:2]1[CH:7]=[C:6]([NH:8][C:9](=[O:34])[C:10]2[CH:15]=[C:14]([CH2:16][C:17]3[C:18](=[O:29])[C:19]([O:27][CH3:28])=[C:20]([O:25][CH3:26])[C:21](=[O:24])[C:22]=3[CH3:23])[CH:13]=[CH:12][C:11]=2[O:30]C(=O)C)[CH:5]=[CH:4][N:3]=1.C(=O)([O-])O.[Na+]>CO.O>[Cl:1][C:2]1[CH:7]=[C:6]([NH:8][C:9](=[O:34])[C:10]2[CH:15]=[C:14... | 1 |
Cl.Cl.[CH3:3][N:4]1[C:8]2[CH2:9][NH:10][CH2:11][C:7]=2[CH:6]=[N:5]1.[Cl:12][C:13]1[C:18]([CH3:19])=[C:17](Cl)[N:16]=[CH:15][N:14]=1.C(N(CC)CC)C>O1CCCC1.O>[Cl:12][C:13]1[N:14]=[CH:15][N:16]=[C:17]([N:10]2[CH2:11][C:7]3[CH:6]=[N:5][N:4]([CH3:3])[C:8]=3[CH2:9]2)[C:18]=1[CH3:19] | 2 |
C1(=CC=CC=C1)OB=O.C(C)(=O)OC1=C(C(=O)NC2=C(C(=O)OC(C)(C)C)C=CC(=C2)C2=CC=CC=C2)C=C(C=C1)Br>>OC1=C(C(=O)NC2=C(C(=O)OC(C)(C)C)C=CC(=C2)C2=CC=CC=C2)C=C(C=C1)C1=CC=CC=C1 | 5 |
C(C(C)(C)C)(=O)O[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1OC(C(C)(C)C)=O)OC(C(C)(C)C)=O)COC(C(C)(C)C)=O)Br.C(C1=CC=CC=C1)C=1C(NN(C1C(C)C)C=O)=O>>C(C1=CC=CC=C1)C=1C(=NN(C1C(C)C)C=O)O[C@H]1[C@H](OC(C(C)(C)C)=O)[C@@H](OC(C(C)(C)C)=O)[C@H](OC(C(C)(C)C)=O)[C@H](O1)COC(C(C)(C)C)=O | 5 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([O:21][C:22]2[CH:23]=[N:24][C:25]([S:28]([CH3:31])(=[O:30])=[O:29])=[CH:26][CH:27]=2)[CH:6]=[C:7]2[C:11]=1[NH:10][C:9]([C:12]1[S:13][CH:14]([CH2:17][C:18](O)=[O:19])[CH2:15][N:16]=1)=[CH:8]2.Cl.[CH2:33]([N:35]=C=NCCCN(C)C)[CH3:34].ON1C2C=CC=CC=2N=N1.C(N)C>O.CN(C)C=O>[CH2:33]([NH:35][C:18]... | 1 |
[Br:1]NC(=O)CCC(N)=O.[C:10]([C:12]1[C:13]([NH:18][CH2:19][C:20]([NH2:22])=[O:21])=[N:14][CH:15]=[CH:16][CH:17]=1)#[N:11]>CN(C)C=O>[Br:1][C:16]1[CH:17]=[C:12]([C:10]#[N:11])[C:13]([NH:18][CH2:19][C:20]([NH2:22])=[O:21])=[N:14][CH:15]=1 | 2 |
ClC=1C=C2C(=CC1Cl)NC([C@]21CNCC1)=O.C=C1CC(CC1)C(=O)O>N(C)(C)C=O.CO[H].CCN(CC)CC.n1nn(O)c2ccccc12.CCN=C=NCCCN(C)C>ClC=1C=C2C(=CC1Cl)NC([C@]21CN(CC1)C(=O)C1CC(CC1)=C)=O | 3 |
COC(C1CCN(CC1)C1=C(C=C(C(=O)O)C=C1F)F)OC>N(C)(C)C=O.C1CCCO1.C(CCC)[Li].[Cl-].[NH4+]>COC(C1CCN(CC1)C1=C(C(=C(C(=O)O)C=C1F)C=O)F)OC | 3 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[C:7]1[N:11]=[C:10]([C:12]2[CH:17]=[C:16]([C:18]#[N:19])[CH:15]=[C:14](Br)[CH:13]=2)[O:9][N:8]=1.C([Sn](CCCC)(CCCC)[C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][N:27]=1)CCC>O1CCCC1.[Pd].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=C... | 1 |
ClC1=CC=CC(=N1)N.FC1=C(C=C(C=C1)C(=O)OC)B(O)O>O.C([O-])([O-])=O.[K+].[K+].COCCOC.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2]>NC1=CC=CC(=N1)C=1C=C(C(=O)OC)C=CC1F | 3 |
[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[NH:6][C:7]3[C:12]([C:13]=2[CH:14]=1)=[CH:11][CH:10]=[CH:9][CH:8]=3.[H-].[Na+].[C:17]1([C:23]2[CH:30]=[CH:29][C:26]([CH2:27]Cl)=[CH:25][CH:24]=2)[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1>CN(C)C=O>[C:23]1([C:17]2[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=2)[CH:24]=[CH:25][C:26]([CH2:27][N:6]2[C:5... | 1 |
C(OC(=O)[NH:7][C:8]1[CH:13]=[CH:12][C:11]([NH:14][C:15]2[N:20]3[N:21]=[CH:22][CH:23]=[C:19]3[CH:18]=[C:17]([C:24]3[CH:33]=[CH:32][C:31]4[C:26](=[CH:27][CH:28]=[C:29]([O:34][CH2:35][C:36]5[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=5)[CH:30]=4)[CH:25]=3)[N:16]=2)=[CH:10][CH:9]=1)(C)(C)C.C(O)(C(F)(F)F)=O>ClCCl>[CH2:35]([O:34][... | 1 |
[N+](=O)([O-])C1=C(C=CC=C1)S(=O)(=O)Cl.N[C@H](CO)CC>>C(C)C1[N@](C1)S(=O)(=O)C1=C(C=CC=C1)[N+](=O)[O-] | 5 |
O.O.O.O.O.O.O.O.O.O.C([O-])([O-])=O.[Na+].[Na+].OC1=CC=C(C=C1)B(O)O.BrC=1C=NC(=NC1)C1=CC=C(C=C1)C[C@@H](C(=O)NC(C(=O)OC(C)(C)C)C(C1=CC=CC=C1)OC(C)(C)C)NC(=O)C=1SC(=CC1)C(C)(C)C>>C(C)(C)(C)OC(C(C(=O)OC(C)(C)C)NC([C@H](CC1=CC=C(C=C1)C1=NC=C(C=N1)C1=CC=C(C=C1)O)NC(=O)C=1SC(=CC1)C(C)(C)C)=O)C1=CC=CC=C1 | 5 |
C(C)(C)(C)OC(=O)N1C(CC(C1)OS(=O)(=O)C)C(O[SiH2]C(C)(C)C)(C)C>>C(C)(C)(C)OC(=O)N1C(CC(C1)N=[N+]=[N-])C(O[SiH2]C(C)(C)C)(C)C | 5 |
[OH:1][C:2]1([CH2:12][NH:13][C:14]([C:16]2[C:17]3[CH:18]=[CH:19][C:20](Cl)=[N:21][C:22]=3[CH:23]=[CH:24][C:25]=2[Cl:26])=[O:15])[CH2:7][CH2:6][CH2:5][CH:4]([C:8]([F:11])([F:10])[F:9])[CH2:3]1.CCN(C(C)C)C(C)C.[F:37][CH:38]1[CH2:42][CH2:41][NH:40][CH2:39]1>>[OH:1][C:2]1([CH2:12][NH:13][C:14]([C:16]2[C:17]3[CH:18]=[CH:19]... | 1 |
ClC1=CC2=C(N(C(C(N=C2C=2C=C3C(=NC2)NC(N3C(=O)OC(C)(C)C)=O)CC3=C(C=CC=C3)Cl)=O)CC3=CC=C(C=C3)OC)C=C1>>ClC1=CC2=C(N(C(C(N=C2C=2C=C3C(=NC2)NC(N3)=O)CC3=C(C=CC=C3)Cl)=O)CC3=CC=C(C=C3)OC)C=C1 | 5 |
[Si](C)(C)(C(C)(C)C)OCCCOC=1N=C(C2=C(N1)CN(CC2)C2=CC=CC1=CC=CC=C21)N2CC(N(CC2)C(=O)OCC2=CC=CC=C2)CC#N>C1CCCO1.CO[H].CCO[H].[HH].[Pd]>[Si](C)(C)(C(C)(C)C)OCCCOC=1N=C(C2=C(N1)CN(CC2)C2=CC=CC1=CC=CC=C21)N2CC(NCC2)CC#N | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC=1C(=NC(=NC1)N)OC(C)C>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC>BrC=1C(=NC(=NC1)N(C(OC(C)(C)C)=O)C(=O)OC(C)(C)C)OC(C)C | 3 |
[C:1]([C:4]1[CH:5]=[CH:6][C:7]([F:15])=[C:8]([N:10]([CH3:14])[C:11](=[O:13])[CH3:12])[CH:9]=1)(=[O:3])[CH3:2].C1(C)C=CC=CC=1>CCCCCCC>[CH3:8][N:10]([CH3:14])[CH:11]=[CH:2][C:1]([C:4]1[CH:5]=[CH:6][C:7]([F:15])=[C:8]([N:10]([CH3:14])[C:11](=[O:13])[CH3:12])[CH:9]=1)=[O:3] | 1 |
NC=1C(=CC(=C(OC\C(=C/C(=O)OC)\OC)C1)Cl)F>>ClC1=C(OC\C(=C/C(=O)OC)\OC)C=C(C(=C1)F)N=C=O | 5 |
[CH3:1][O:2][C:3]([C@@H:5]1[CH:20]=[C:19]2[C@@H:9]([CH2:10][C:11]3[C:21]4[C:14](=[CH:15][CH:16]=[CH:17][C:18]2=4)[NH:13][CH:12]=3)[N:7]([CH3:8])[CH2:6]1)=[O:4].[N:22]#CBr>ClCCl.CO.ClCCl>[CH3:1][O:2][C:3]([C@@H:5]1[CH:20]=[C:19]2[C@@H:9]([CH2:10][C:11]3[C:21]4[C:14]([NH:13][CH:12]=3)=[CH:15][CH:16]=[CH:17][C:18]=42)[N:7... | 1 |
ClC1=CC=C(C=C1)C1=C(C(=NN1C1=C(C=C(C=C1)Cl)Cl)C(=O)N1CCC(CC1)(C1=CC=CC=C1)NC(OC(C)(C)C)=O)C>ClCCl.C(=O)(C(F)(F)F)O>ClC1=CC=C(C=C1)C1=C(C(=NN1C1=C(C=C(C=C1)Cl)Cl)C(=O)N1CCC(CC1)(N)C1=CC=CC=C1)C | 3 |
N1=C(C=CC=C1)C1=NNC(=C1)C(=O)OCC>O.C1CCCO1.[OH-].[Li+]>N1=C(C=CC=C1)C1=CC(=NN1)C(=O)[O-].[Li+] | 3 |
ClCl.[CH:3](=[N:5][OH:6])[CH3:4].C(=O)(O)[O-].[Na+].[Cl:12][C:13]1[C:14](=[O:21])[CH:15]=[CH:16][C:17](=[O:20])[C:18]=1[Cl:19]>O>[C:3](#[N+:5][O-:6])[CH3:4].[Cl:12][C:13]1[C:14](=[O:21])[C:15]2[C:3]([CH3:4])=[N:5][O:6][C:16]=2[C:17](=[O:20])[C:18]=1[Cl:19] | 1 |
[Cl:1][C:2]1[CH:13]=[CH:12][C:5](/[CH:6]=[CH:7]/[C:8]([O:10][CH3:11])=[O:9])=[C:4]([NH:14]S(C2C=CC=CC=2)(=O)=O)[CH:3]=1.Br.Br[CH2:26][C:27]([C:29]1[C:34]([CH3:35])=[CH:33][C:32]([CH3:36])=[CH:31][N:30]=1)=[O:28]>>[CH3:11][O:10][C:8](=[O:9])[CH2:7][C:6]1[C:5]2[C:4](=[CH:3][C:2]([Cl:1])=[CH:13][CH:12]=2)[NH:14][C:26]=1[C... | 1 |
[CH:1]1([C:4]2[CH:5]=[C:6]([CH3:26])[C:7]([N:10]3[CH2:15][CH2:14][N:13]([C:16]([C:18]4[CH:23]=[CH:22][C:21](Br)=[CH:20][C:19]=4Br)=[O:17])[CH2:12][CH2:11]3)=[N:8][CH:9]=2)[CH2:3][CH2:2]1.[CH3:27][N:28]1[CH2:32][CH2:31][NH:30][C:29]1=[O:33]>>[CH3:27][N:28]1[CH2:32][CH2:31][N:30]([C:19]2[CH:20]=[C:21]([N:30]3[CH2:31][CH2... | 1 |
[CH2:1]1[C:14]2[C:13]3[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=3[NH:7][C:6]=2[CH:5]2[CH2:15][CH2:16][N:2]1[CH2:3][CH2:4]2.Br[C:18]1[CH:23]=[CH:22][C:21]([N:24]2[CH2:29][CH2:28][N:27]([CH3:30])[CH2:26][CH2:25]2)=[CH:20][CH:19]=1>>[CH3:30][N:27]1[CH2:28][CH2:29][N:24]([C:21]2[CH:20]=[CH:19][C:18]([N:7]3[C:8]4[CH:9]=[CH:10][CH:... | 1 |
Br[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13].[Mg].[CH3:15][C:16]1[O:20][C:19]([Si:21]([CH3:24])([CH3:23])[CH3:22])=[CH:18][C:17]=1[CH:25]=[O:26].[C:27](OC(=O)C)(=[O:29])[CH3:28]>O1CCCC1>[CH3:15][C:16]1[O:20][C:19]([Si:21]([CH3:22])([CH3:24])[CH3:23])=[CH:18][C:17]=1[CH:25](... | 1 |
C(C)(C)(C)OC(=O)N[C@H]([C@@H](C)C1=CC(=C(C=C1)NC(=O)[C@@H](NC(OCC1=CC=CC=C1)=O)C1CCCCC1)F)C(=O)N1CCN(CC1)C>C1CCCO1.O.O.[Pd].[HH]>N[C@H](C(=O)NC1=C(C=C(C=C1)[C@@H]([C@H](C(=O)N1CCN(CC1)C)NC(OC(C)(C)C)=O)C)F)C1CCCCC1 | 3 |
C(#N)NC(=N)Cl>>ClC1=NC(=NC=N1)N(C)C | 5 |
BrC1=C(C(=C2C(=NC(=NC2=C1F)OC[C@]12CCCN2C[C@@H](C1)F)O)F)Cl.FC(CNC(CO)C1=CN=CS1)F>C1CCCO1.[H-].[Na+]>BrC1=C(C(=C2C(=NC(=NC2=C1F)OC[C@]12CCCN2C[C@@H](C1)F)O)OCC(C1=CN=CS1)NCC(F)F)Cl | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.O=S1(N(CCCC1)C1=C2C=CNC2=CC(=C1)C(=O)OC)=O>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC>O=S1(N(CCCC1)C1=C2C=CN(C2=CC(=C1)C(=O)OC)C(=O)OC(C)(C)C)=O | 3 |
[Cl:1][C:2]1[C:7]([Cl:8])=[C:6]([C:9]2[S:13][C:12]([C:14]3O[C:16]([C:19]([OH:22])([CH3:21])[CH3:20])=[N:17][N:18]=3)=[N:11][C:10]=2[C:23]([N:25]2[CH2:30][CH2:29][C:28]([F:32])([F:31])[CH2:27][CH2:26]2)=[O:24])[CH:5]=[CH:4][C:3]=1[S:33]([NH:36][C@@H:37]([CH3:42])[C:38]([F:41])([F:40])[F:39])(=[O:35])=[O:34].O.C1(C)C=CC(... | 2 |
C1(CCCC1)Br.OC=1C=C(C=CC1OC)C=1OC=C(N1)CNC(C1=NC=CC=C1C)=O>>C1(CCCC1)OC=1C=C(C=CC1OC)C=1OC=C(N1)CNC(C1=NC=CC=C1C)=O | 5 |
[CH3:1][NH:2][S:3]([CH2:6][C:7]1[CH:12]=[CH:11][C:10]2[NH:13][CH:14]=[C:15]([CH2:16][CH2:17][N:18]([CH3:20])[CH3:19])[C:9]=2[CH:8]=1)(=[O:5])=[O:4].C(C(O)=O)CC(O)=O.OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O>>[CH3:1][NH:2][S:3]([CH2:6][C:7]1[CH:12]=[CH:11][C:10]2[NH:13][CH:14]=[C:15](... | 2 |
FC1=C(C=C(C(=O)OCC)C=C1)[N+](=O)[O-].FC=1C=CC(=C(C(=O)OCC)C1)S>>C(C)OC(C1=CC(=C(C=C1)SC1=C(C=C(C=C1)F)C(=O)OCC)[N+](=O)[O-])=O | 5 |
Cl[C:2]1[CH:7]=[C:6]([CH3:8])[N:5]=[C:4]([C:9]2[CH:14]=[CH:13][C:12]([O:15][CH3:16])=[CH:11][CH:10]=2)[N:3]=1.[C:17]1([CH:23]([C:33]2[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=2)[N:24]2[CH2:29][CH2:28][N:27]([CH2:30][CH2:31][OH:32])[CH2:26][CH2:25]2)[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1.[H-].[Na+]>O1CCCC1>[C:33]1([CH:23](... | 1 |
[CH2:1]([O:8][C:9]([N:11]1[C@@H:15]([CH2:16][CH2:17]Br)[C:14](=[O:19])[O:13][CH2:12]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[P:20]([O:27]CC)([O:24][CH2:25][CH3:26])[O:21][CH2:22][CH3:23]>>[CH2:1]([O:8][C:9]([N:11]1[C@@H:15]([CH2:16][CH2:17][P:20]([O:24][CH2:25][CH3:26])([O:21][CH2:22][CH3:23])=[O:27])[C:14](... | 1 |
Br[C:2]1[S:3][C:4]([C:7]([O:9]CC)=[O:8])=[CH:5][N:6]=1.[N:12]1[CH:17]=[CH:16][C:15](B(O)O)=[CH:14][CH:13]=1.C(=O)([O-])[O-].[K+].[K+]>O1CCOCC1.O.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[N:1... | 1 |
NC1=C(C=CC=C1)N.ClC1=NC(=C2N=C(N(C2=N1)C)CN1CC(C1)C1CCOCC1)N1CCOCC1>N(C)(C)C=O.[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+].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>CN1C2=NC(=NC(=C2N=C1CN1CC(C1)C1CCOCC1)N1CCOCC1)NC=... | 3 |
C([O:5][C:6]([CH2:8][N:9]1[C:13](=[O:14])/[C:12](=[CH:15]/[C:16]2[CH:21]=[C:20]([O:22][CH3:23])[C:19]([O:24][CH3:25])=[C:18]([O:26][CH3:27])[CH:17]=2)/[C:11](=[CH:28]\[C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)/[C:10]1=[O:35])=[O:7])(C)(C)C.FC(F)(F)C(O)=O>ClCCl>[C:6]([CH2:8][N:9]1[C:13](=[O:14])/[C:12](=[CH:15]/[C:... | 1 |
[CH3:1][C:2]1([CH3:10])[NH:6][C:5](=[O:7])[C:4]([CH3:9])([CH3:8])[NH:3]1.[H-].[Na+].[CH3:13][O:14][CH2:15][CH2:16][O:17][CH2:18][CH2:19][O:20][CH2:21][CH2:22]OC1C=C(S([O-])(=O)=O)C=CC=1C>CN(C)C=O>[CH3:13][O:14][CH2:15][CH2:16][O:17][CH2:18][CH2:19][O:20][CH2:21][CH2:22][N:6]1[C:5](=[O:7])[C:4]([CH3:9])([CH3:8])[NH:3][C... | 1 |
[CH3:1][N:2]1[CH2:8][CH2:7][CH2:6][N:5]([CH2:9][CH2:10][CH2:11][CH2:12][O:13]C2C=C(C=CN=2)C#N)[CH2:4][CH2:3]1.CN1CCCNCC1.ClCCCCO.C([O-])([O-])=O.[K+].[K+].[Na+].[I-]>C(O)CCC.O>[CH3:1][N:2]1[CH2:8][CH2:7][CH2:6][N:5]([CH2:9][CH2:10][CH2:11][CH2:12][OH:13])[CH2:4][CH2:3]1 | 1 |
[N+:1]([C:4]1[CH:5]=[C:6]([CH:8]=[CH:9][CH:10]=1)[NH2:7])([O-:3])=[O:2].Cl[CH2:12][CH2:13][O:14][CH2:15][CH2:16]Cl.C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C>[N:7]1([C:6]2[CH:5]=[C:4]([N+:1]([O-:3])=[O:2])[CH:10]=[CH:9][CH:8]=2)[CH2:16][CH2:15][O:14][CH2:13][CH2:12]1 | 1 |
Br[CH2:2][C:3]1[CH:4]=[C:5]([C:9]2[O:10][C:11]3[C:17]([C:18]([O:20][CH3:21])=[O:19])=[CH:16][CH:15]=[CH:14][C:12]=3[N:13]=2)[CH:6]=[CH:7][CH:8]=1.[NH:22]1[CH2:26][CH2:25][CH2:24][CH2:23]1>C(O)C>[N:22]1([CH2:2][C:3]2[CH:4]=[C:5]([C:9]3[O:10][C:11]4[C:17]([C:18]([O:20][CH3:21])=[O:19])=[CH:16][CH:15]=[CH:14][C:12]=4[N:13... | 1 |
ClS(=O)(=O)O.BrC=1SC=C(C1)Br>>BrC1=C(SC(=C1)Br)S(=O)(=O)Cl | 5 |
O(C1=CC=CC=C1)C=1N=C2C(=NC1)N(C=C2C=O)COCC[Si](C)(C)C>O.S(O)(O)(=O)=O.CC(=O)C.[O-2].[O-2].[O-2].[Cr+6].CC(=O)C.OS(=O)(=O)O.O=[Cr](=O)=O>O(C1=CC=CC=C1)C=1N=C2C(=NC1)N(C=C2C(=O)O)COCC[Si](C)(C)C | 3 |
[Br-].C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.ClC=1N=C(NC1CC)C(=O)N[C@@H]1[C@@H](CN(CC1)C=1SC(=C(N1)C=O)C(=O)OCC)OC>C1CCCO1.C(CCC)[Li]>ClC=1N=C(NC1CC)C(=O)N[C@@H]1[C@@H](CN(CC1)C=1SC(=C(N1)C=C)C(=O)OCC)OC | 3 |
ClCCCC.O=C1C(CC2=CC(=C(C(=C12)Cl)Cl)OCC(=O)O)CC(C)C>Cl.C(C)(=O)O.ClCl>O=C1C(CC2=CC(=C(C(=C12)Cl)Cl)OCC(=O)O)(Cl)CC(C)C | 3 |
S(=O)(=O)(OCC)OCC.FC(C1=CC=C(C=C1)C1C(=C(NC(C1)=O)C)C(=O)OC)(F)F>N(C)(C)C=O.[H-].[Na+]>C(C)N1C(=C(C(CC1=O)C1=CC=C(C=C1)C(F)(F)F)C(=O)OC)C | 3 |
[Si:1]([O:8][C@@H:9]1[C@@:37]2([CH3:38])[C:13](=[CH:14][CH:15]=[C:16]3[C@@H:36]2[CH2:35][CH2:34][C@@:33]2([CH3:39])[C@H:17]3[CH2:18][CH:19]=[C:20]2[C@@H:21]([S:23][C:24](OC2C=CC=CC=2)=O)[CH3:22])[CH2:12][C@@H:11]([OH:40])[CH2:10]1)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].BrC/[CH:43]=[CH:44]\[C:45]([CH2:56][CH3:... | 1 |
COC(C(CC(=O)O)N1CCN(CCC1=O)C(\C=C\C1=CC(=C(C=C1)Cl)Cl)=O)=O>ClCCl.N1CCCCC1.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>COC(C(CC(N1CCCCC1)=O)N1CCN(CCC1=O)C(\C=C\C1=CC(=C(C=C1)Cl)Cl)=O)=O | 3 |
C(C)(C)(C)O.FC(COC1=NC=C(C=C1)C=C)(F)F>O.CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC5=NN=C(C6=CC=CC=C65)OC(C7CC8CCN7CC8CC)C9=C1C=C(C=CC1=NC=C9)OC.[K+].[K+].[O-][Os](O)(O)(O)(O)[O-].[K+].[K+].N#C[Fe-3](C#N)(C#N)(C#N)(C#N)C#N.[K+].C(=O)([O-])[O-].[K+].[K+]>FC(COC1=CC=C(C=N1)C(CO)O)(F)F | 3 |
BrCC(=O)OC.BrC=1C=C(C=CC1)O>CC#N.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC>BrC=1C=C(OCC(=O)OC)C=CC1 | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([NH2:8])=[C:4]([NH2:9])[CH:3]=1.[C:10]1([C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)[CH:15]=[CH:14][C:13]([CH:16]2[CH2:22][C:21](=O)[O:20][C:18](=[O:19])[CH2:17]2)=[CH:12][CH:11]=1.Cl>ClCCl.O1CCOCC1>[ClH:1].[C:10]1([C:24]2[CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=2)[CH:15]=[CH:14][C:13]([C... | 1 |
[OH:1][CH:2]([C:4]1[CH:13]=[CH:12][C:7]([C:8]([O:10][CH3:11])=[O:9])=[CH:6][CH:5]=1)[CH3:3].[C:14]1(O)[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OC(C)C)=O)=NC(OC(C)C)=O>O1CCCC1.O>[O:1]([CH:2]([C:4]1[CH:13]=[CH:12][C:7]([C:8]([O:10][CH3:11])=[O:9])=[CH:6][CH:5]=1)[CH3:3])[C:14]1[C... | 1 |
[NH:1]([C:8]1[N:9]=[N:10][NH:11][C:12]=1[C:13]([O:15]CC)=[O:14])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1>[OH-].[Na+]>[NH:1]([C:8]1[N:9]=[N:10][NH:11][C:12]=1[C:13]([OH:15])=[O:14])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
C(C)(C)(C)OC(=O)NC(CC1=CC=C(OC2=CC=C(C=C2)CCC(=O)O)C=C1)C(N(C)C)=O>ClCCl>Cl.NC(CC1=CC=C(OC2=CC=C(C=C2)CCC(=O)O)C=C1)C(N(C)C)=O | 3 |
[N:1]1[CH:6]=[C:5]([C:7]([O:9]CC)=[O:8])[CH:4]=[N:3][CH:2]=1.Cl>[OH-].[Na+]>[N:1]1[CH:6]=[C:5]([C:7]([OH:9])=[O:8])[CH:4]=[N:3][CH:2]=1 | 2 |
C(C)(C)NC(CN1CCNCC1)=O.[N+](=O)([O-])C1=CC=C(O1)C(=O)Cl>>C(C)(C)NC(CN1CCN(CC1)C(=O)C=1OC(=CC1)[N+](=O)[O-])=O | 5 |
C1(=CC=CC=C1)CC(CC1=CC=CC=C1)=O>>C1(=CC=CC=C1)CC(CC1=CC=CC=C1)O | 5 |
ClC=1C=C2C(C(=O)OC2=O)=CC1>>ClC=1C=C2C(C(=O)NC2=O)=CC1 | 5 |
BrC1=CC=C2N=C(C=3N(C2=C1)C(=NN3)OC)Cl>>BrC1=CC=C2N=C(C=3N(C2=C1)C(=NN3)OC)NC(C)C | 5 |
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