smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
NC1=CC=CC=C1.C1(=CC=CC=C1)COC=1C=C(C=CC1)CC(=O)O>>C(C1=CC=CC=C1)OC=1C=C(C=CC1)CC(=O)NC1=CC=CC=C1.C(C1=CC=CC=C1)OC=1C=C(C=CC1)CC(=O)NC1=CC=CC=C1 | 5 |
C(C)(=O)OC(C)=O.ClC1=C(C=CC=C1)N1N=C(C=C1OC1=C(C=CC=C1)NC(=O)NC1=CC=C(C=C1)C1CCNCC1)C>>C(C)(=O)N1CCC(CC1)C1=CC=C(C=C1)NC(=O)NC1=C(C=CC=C1)OC1=CC(=NN1C1=C(C=CC=C1)Cl)C | 5 |
[N:1]1([C:6]2[CH:11]=[C:10]([CH2:12][OH:13])[CH:9]=[CH:8][N:7]=2)[CH:5]=[CH:4][CH:3]=[N:2]1>ClCCCl.O=[Mn]=O>[N:1]1([C:6]2[CH:11]=[C:10]([CH:9]=[CH:8][N:7]=2)[CH:12]=[O:13])[CH:5]=[CH:4][CH:3]=[N:2]1 | 1 |
Cl.N[C@H]1[C@@H](CCCC1)O.ClC1=CC=C(C=C1)C=1N=C(C(=NC1C1=CC=C(C=C1)Cl)C(=O)O)C(=O)OC(C)(C)C>ClCCl.CCN(CC)CC.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=C5)N=N4.F[P-](F)(F)(F)(F)F>ClC1=CC=C(C=C1)C=1N=C(C(=NC1C1=CC=C(C=C1)Cl)C(=O)OC(C)(C)C)C(=O)N[C@H]1[C@@H](CCCC1)O | 3 |
[Br-].C[Mg+].COCCCC.C(C)(=O)NC=1C=C(C(=O)N(C)OC)C=C(C1)S(F)(F)(F)(F)F>O.C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].C(C)(=O)OCC>C(C)(=O)C=1C=C(C=C(C1)S(F)(F)(F)(F)F)NC(C)=O | 3 |
[C:1]([CH2:9][CH2:10][CH2:11][C:12]([OH:14])=[O:13])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CO.[CH:17]1C=CC=CC=1.C1(C)C=CC(S(O)(=O)=O)=CC=1>C(OCC)(=O)C>[C:1]([CH2:9][CH2:10][CH2:11][C:12]([O:14][CH3:17])=[O:13])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
[C:1]1([C@@H:7]([OH:9])[CH3:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.N1C=CC=CC=1.[C:16](OC(=O)C)(=[O:18])[CH3:17]>ClCCl>[C:16]([O:9][C@H:7]([C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1)[CH3:8])(=[O:18])[CH3:17] | 1 |
BrC(C(C)=O)=COC.C1(CC1)NC(C)=N>CCN(CC)CC.C(C)(C)O>C(C)(=O)C1=CN=C(N1C1CC1)C | 3 |
C(Cl)(=O)C(Cl)=O.[F:7][C:8]1[CH:13]=[CH:12][C:11]([C:14]2[O:15][C:16]3[CH:25]=[C:24]([N:26]([CH3:31])[S:27]([CH3:30])(=[O:29])=[O:28])[C:23]([C:32]4[CH:37]=[CH:36][CH:35]=[C:34]([C:38](=[O:49])[NH:39][C:40]([C:43]5[CH:48]=[CH:47][CH:46]=[CH:45][CH:44]=5)([CH3:42])[CH3:41])[CH:33]=4)=[CH:22][C:17]=3[C:18]=2[C:19]([OH:21... | 1 |
OCCCC(=O)[O-].[K+]>N(C)(C)C=O.BrCC>C(C)OC(CCCO)=O | 3 |
B(O)OBO.OC(C)(C)C(C)(C)O.BrC1=CC=C(C=C1)C1(CS(C1)(=O)=O)C>N(C)(C)C=O.C(C)(=O)[O-].[K+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>CC1(CS(C1)(=O)=O)C1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C | 3 |
NC1=NC=C(C=C1)C.ClC=1C=C(C=CC1S(=O)(=O)C)[C@H](C(=O)O)CC1CCC(CC1)=O>>ClC=1C=C(C=CC1S(=O)(=O)C)[C@H](C(=O)NC1=NC=C(C=C1)C)CC1CCC(CC1)=O | 5 |
C(=O)C1=CC=C(OC2=NC=C(C(=O)N)C=C2)C=C1.Cl.C1(=CC=CC=C1)C1(CNCC1)C1=CC=CC=C1>C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>C1(=CC=CC=C1)C1(CN(CC1)CC1=CC=C(OC2=NC=C(C(=O)N)C=C2)C=C1)C1=CC=CC=C1 | 3 |
CN1C(C2=CC=CC=C2C(=C1)B1OC(C(O1)(C)C)(C)C)=O>O1CCOCC1.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].P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>CN1C(C2=CC=CC=C2C(=C1)C1=C(C=CC(=C1)S(=O)(=O)C)NC1COCC1)=O | 3 |
C(#N)C=1C(=NC(=C(C(=O)OCC)C1)C)N1CCNCC1.C1(=CC=CC=C1)N1N=NC(=C1)C=O>CO[H].C(C)(=O)O>C(#N)C=1C(=NC(=C(C(=O)OCC)C1)C)N1CCN(CC1)CC=1N=NN(C1)C1=CC=CC=C1 | 3 |
OO[S:3]([O-:5])=[O:4].[K+].[CH3:7][C:8]1([S:22]([C:25]2[CH:30]=[CH:29][CH:28]=[C:27]([C:31]([F:34])([F:33])[F:32])[CH:26]=2)(=[O:24])=[O:23])[CH2:13][CH2:12][O:11][CH:10]([C:14]2[CH:15]=[CH:16][C:17](SC)=[N:18][CH:19]=2)[CH2:9]1.[CH3:35]C#N>C1COCC1.O>[CH3:35][S:3]([C:17]1[CH:16]=[CH:15][C:14]([CH:10]2[CH2:9][C:8]([CH3:... | 2 |
C(C1=CC=CC=C1)N1CCC2(CC1)OCC1=C2C=NC=C1>>N1CCC2(CC1)OCC1=C2C=NC=C1 | 5 |
CO.[NH2:3][C:4]1[N:9]=[C:8](F)[C:7]([C:11](=[O:13])[CH3:12])=[CH:6][CH:5]=1.C[C:15](C)([O-:17])C.[K+]>O>[NH2:3][C:4]1[N:9]=[C:8]([O:17][CH3:15])[C:7]([C:11](=[O:13])[CH3:12])=[CH:6][CH:5]=1 | 2 |
O1CCC(CC1)=O.FC=1C=CC=C2C(=C(C(=NC12)C1=CC=CC=C1)CC1CCNCC1)C(=O)N[C@@H](CC)C1=CC=CC=C1>>FC=1C=CC=C2C(=C(C(=NC12)C1=CC=CC=C1)CC1CCN(CC1)C1CCOCC1)C(=O)N[C@@H](CC)C1=CC=CC=C1 | 5 |
N1(CCCCC1)CCN.FC(C1=C(COC2=C(C=C(C=C2)\C=C/2\C(NC(S2)=O)=S)OC)C=CC(=C1)C(F)(F)F)(F)F>CO[H]>FC(C1=C(COC2=C(C=C(C=C2)\C=C/2\C(=NC(S2)=O)NCCN2CCCCC2)OC)C=CC(=C1)C(F)(F)F)(F)F | 3 |
CC=1N=C2C=CC=C3C(N(C(C1N23)=O)CCCCNS(=O)(=O)C(F)(F)F)=O>>Cl.CC=1N=C2C=CC=C3C(N(C(C1N23)=O)CCCCNS(=O)(=O)C(F)(F)F)=O | 5 |
FC1=CC=C(CN)C=C1.ClCC1=NC(=NN1C1=C(C=C(C=C1)S(=O)(=O)N)F)C>CC#N>FC1=CC=C(CNCC2=NC(=NN2C2=CC=C(C=C2)S(=O)(=O)N)C)C=C1 | 3 |
[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[N:6]([C:8](I)=[CH:9][N:10]=2)[CH:7]=1.[Cl:12][C:13]1[CH:18]=[CH:17][C:16](B(O)O)=[CH:15][CH:14]=1.[O-]P([O-])([O-])=O.[K+].[K+].[K+].O>CN(C=O)C.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... | 2 |
[Cl:1][C:2]1[C:3]([F:23])=[C:4]([NH:9][C:10]2[C:19]3[C:14](=[CH:15][C:16]([O:21][CH3:22])=[C:17]([NH2:20])[CH:18]=3)[N:13]=[CH:12][N:11]=2)[CH:5]=[CH:6][C:7]=1[F:8].[Br:24][CH2:25]/[CH:26]=[CH:27]/[C:28](Cl)=[O:29].O>C1COCC1>[Br:24][CH2:25]/[CH:26]=[CH:27]/[C:28]([NH:20][C:17]1[CH:18]=[C:19]2[C:14](=[CH:15][C:16]=1[O:2... | 2 |
[CH3:1][N:2]([CH3:18])[CH2:3][CH2:4][NH:5][S:6]([C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([N+:15]([O-])=O)[CH:10]=1)(=[O:8])=[O:7]>C(O)C.CC(O)=O.[Pd]>[NH2:15][C:11]1[CH:10]=[C:9]([S:6]([NH:5][CH2:4][CH2:3][N:2]([CH3:18])[CH3:1])(=[O:8])=[O:7])[CH:14]=[CH:13][CH:12]=1 | 1 |
C(#C)C=1C(=NC(=CC1)N)N.C1(=CC(=CC=C1)CC(=NO)Cl)C1=CC=CC=C1>C1CCCO1.CCN(CC)CC>C1(=CC(=CC=C1)CC1=NOC(=C1)C=1C(=NC(=CC1)N)N)C1=CC=CC=C1 | 3 |
C(C)(=O)Cl.NC=1C=C(C=CC1F)C=1C(=NC=CC1)[C@H](CC1=CC(=CC(=C1)F)F)NC(CC1=CNC2=CC=C(C=C12)F)=O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>C(C)(=O)NC=1C=C(C=CC1F)C=1C(=NC=CC1)[C@H](CC1=CC(=CC(=C1)F)F)NC(CC1=CNC2=CC=C(C=C12)F)=O | 3 |
ClC=1C=CC2=C(C(=C(S2)C=2N(N=CC2)C)C#N)C1>CC#N.BrN1C(CCC1=O)=O>BrC1=C(N(N=C1)C)C=1SC2=C(C1C#N)C=C(C=C2)Cl | 3 |
C1=CC2=C(C=C1C=O)OCO2.C(CC(=O)O)(=O)O>>O1COC2=C1C=CC(=C2)C=CC(=O)O | 5 |
NC(CN1C=C(C=CC1NS(=O)(=O)C1=CC=C(C=C1)C)OC=1C=CC(=C(C1)NC(=O)C1=CC(=NN1C)C)F)=O>ClCCl.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F>NC=1N=C2N(C=C(C=C2)OC=2C=CC(=C(C2)NC(=O)C2=CC(=NN2C)C)F)C1 | 3 |
FC=1C=C(C=CC1F)C1=CCC2(OCCO2)CC1>ClCCl.C(=O)(C(F)(F)F)O>FC=1C=C(C=CC1F)C=1CCC(CC1)=O | 3 |
CSC1C(NC2=C(C=C(C(=C12)C1=CC=CC=C1)[N+](=O)[O-])[N+](=O)[O-])=O>CCO[H].Cl.[Sn]>C1(=CC=CC=C1)C1=C2CC(NC2=C(C=C1N)N)=O | 3 |
C1(C)C=CC(S(O)(=O)=O)=CC=1.[CH2:12]([O:19][C:20](=[O:27])[C@H:21]([CH2:23][CH:24]([CH3:26])[CH3:25])[NH2:22])[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.Br[CH:29]([CH3:34])[C:30]([O:32][CH3:33])=[O:31].CN1CCOCC1>C(#N)C>[CH2:12]([O:19][C:20](=[O:27])[C@H:21]([CH2:23][CH:24]([CH3:25])[CH3:26])[NH:22][C@@H:29]([C:30]([... | 1 |
ClC1=NC(=CC=2N1C=CN2)C2=C(C=C(C=C2)Cl)Cl>>BrC1=CN=C2N1C(=NC(=C2)C2=C(C=C(C=C2)Cl)Cl)Cl | 5 |
BrC=1C(=C(C(=O)O)C=CC1)C>>BrC=1C(=C(C=CC1)CO)C | 5 |
[Cl:1][CH2:2][CH2:3][CH2:4][CH:5]1[S:10][C:9]2[CH:11]=[CH:12][CH:13]=[CH:14][C:8]=2[N:7]([C:15]2[CH:20]=[CH:19][CH:18]=[C:17]([F:21])[CH:16]=2)[S:6]1(=[O:23])=[O:22].[CH3:24][NH2:25].Cl>>[ClH:1].[F:21][C:17]1[CH:16]=[C:15]([N:7]2[C:8]3[CH:14]=[CH:13][CH:12]=[CH:11][C:9]=3[S:10][CH:5]([CH2:4][CH2:3][CH2:2][NH:25][CH3:24... | 2 |
ClC=1C=C2CCC[C@]3(C2=CC1)CN(C1=C(OC3)C=C(C(=C1)C(=O)OC)F)C[C@H]1[C@@H](CC1)CO>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>ClC=1C=C2CCC[C@]3(C2=CC1)CN(C1=C(OC3)C=C(C(=C1)C(=O)OC)F)C[C@H]1[C@@H](CC1)C=O | 3 |
[CH:1]1([O:6][C:7](=[O:27])[C@@H:8]([NH:19][C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21])[CH2:9][CH2:10][O:11][Si](C(C)(C)C)(C)C)[CH2:5][CH2:4][CH2:3][CH2:2]1.C(OCC)(=O)C>C(O)(=O)C.C1COCC1.O>[CH:1]1([O:6][C:7](=[O:27])[C@@H:8]([NH:19][C:20]([O:22][C:23]([CH3:25])([CH3:24])[CH3:26])=[O:21])[CH2:9][CH2:10][OH:1... | 1 |
[NH2:1][CH2:2][CH2:3][CH2:4][NH2:5].[Cl:6][C:7]1[CH:8]=[C:9]([S:14](Cl)(=[O:16])=[O:15])[CH:10]=[C:11]([Cl:13])[CH:12]=1>O1CCOCC1>[NH2:1][CH2:2][CH2:3][CH2:4][NH:5][S:14]([C:9]1[CH:8]=[C:7]([Cl:6])[CH:12]=[C:11]([Cl:13])[CH:10]=1)(=[O:16])=[O:15] | 1 |
ClC1=CC=C(C=C1)N=C=O.FC([C@H](CN1C[C@H](OCC1)C1=CC(=C(C=C1)F)C(F)(F)F)O)(F)F>C1(=CC=CC=C1)C>FC([C@H](CN1C[C@H](OCC1)C1=CC(=C(C=C1)F)C(F)(F)F)OC(NC1=CC=C(C=C1)Cl)=O)(F)F | 3 |
C(C)(=O)NC1=CC(=C(C(=O)O)C=C1)F>CCO[H].B(F)(F)F.CCOCC>C(C)OC(C1=C(C=C(C=C1)N)F)=O | 3 |
[F:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][C:11]=1[C:12]1[CH:17]=[C:16]([CH3:18])[N:15]=[C:14]([CH3:19])[CH:13]=1)[NH:8][CH:7]=[C:6]([C:20]([O:22][CH2:23][CH3:24])=[O:21])[C:5]2=[O:25].C(=O)([O-])[O-].[K+].[K+].[CH2:32](I)[CH3:33]>CN(C)C=O>[CH2:32]([N:8]1[C:9]2[C:4](=[CH:3][C:2]([F:1])=[C:11]([C:12]3[CH:17]=[C:16]([CH3:18]... | 1 |
F[C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][CH:9]=1)[C:5]#[N:6].[F:10][C:11]([F:21])([F:20])[O:12][C:13]1[CH:14]=[C:15]([OH:19])[CH:16]=[CH:17][CH:18]=1.C(=O)([O-])[O-].[Cs+].[Cs+].Cl>CN(C=O)C>[F:10][C:11]([F:20])([F:21])[O:12][C:13]1[CH:14]=[C:15]([CH:16]=[CH:17][CH:18]=1)[O:19][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][CH:9]=1)[C:5]#[N:... | 2 |
[C:1]([NH:4][CH2:5][CH2:6][C:7]1[CH:12]=[C:11]([O:13][CH3:14])[C:10]([O:15][CH3:16])=[CH:9][C:8]=1[C:17]([CH2:19][C:20]1[CH:25]=[C:24]([O:26][CH3:27])[C:23]([O:28][CH3:29])=[CH:22][CH:21]=1)=[O:18])(=[O:3])[CH3:2].[N+:30]([O-])([OH:32])=[O:31].O>C(O)(=O)C>[C:1]([NH:4][CH2:5][CH2:6][C:7]1[CH:12]=[C:11]([O:13][CH3:14])[C... | 1 |
[C:1]([CH:3]1[CH2:7][CH2:6][CH2:5][CH2:4]1)#[CH:2].Br[C:9]1[CH:10]=[C:11]([CH:15]([OH:26])[CH2:16][CH2:17][NH:18][C:19](=[O:25])[O:20][C:21]([CH3:24])([CH3:23])[CH3:22])[CH:12]=[CH:13][CH:14]=1>>[CH:3]1([C:1]#[C:2][C:9]2[CH:10]=[C:11]([CH:15]([OH:26])[CH2:16][CH2:17][NH:18][C:19](=[O:25])[O:20][C:21]([CH3:22])([CH3:24]... | 1 |
[N+](=O)([O-])C1=C(C=CC=C1)S(=O)(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1>>NC(C1=CC=CC=C1)C1=CC=CC=C1 | 5 |
C1(CCCC1)C=O.C(CCC)C1=CC=C(C=C1)C#CC1=CC=C(CNC=2C=CC(=C(C(=O)OC)C2)F)C=C1>ClCCl.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>COC(C1=C(C=CC(=C1)N(CC1CCCC1)CC1=CC=C(C=C1)C#CC1=CC=C(C=C1)CCCC)F)=O | 3 |
C(C1=CC=CC=C1)N.C(C#C)(=O)O>ClCCl.C1(CCCCC1)N=C=NC1CCCCC1>C(C1=CC=CC=C1)NC(C#C)=O | 3 |
C1(=CC=CC=C1)CCN.C(C1=CC=CC=C1)N1CCN(CC1)C=1C=C(C=C2C=CC=NC12)Br>C1(=CC=CC=C1)C.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.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>C(C1=CC=CC=C1)N(C)C=1C=C2C=CC=NC2=C(C1)N1CCN(CC1)CC1=CC=CC=C1 | 3 |
ClC(=O)OC1=CC=CC=C1.FC1=C(OC2=CC(=NC=N2)N)C=CC(=C1)[N+](=O)[O-]>>FC1=C(OC2=CC(=NC=N2)NC(=O)N2CCOCC2)C=CC(=C1)[N+](=O)[O-] | 5 |
[CH3:1][C:2]([CH3:33])([CH3:32])[C:3](=[O:31])[CH2:4][O:5][C:6]1[CH:11]=[CH:10][C:9]([C:12]([C:17]2[CH:18]=[CH:19][C:20]3[O:24][C:23]([C:25](O)=[O:26])=[C:22]([CH3:28])[C:21]=3[CH:29]=2)([CH2:15][CH3:16])[CH2:13][CH3:14])=[CH:8][C:7]=1[CH3:30].C(Cl)CCl.Cl.[CH3:39][NH:40][CH3:41]>CN(C1C=CN=CC=1)C>[CH3:39][N:40]([CH3:41]... | 1 |
C(Br)(Br)(Br)Br.[C:6]1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[F:25][C:26]1[CH:33]=[CH:32][CH:31]=[CH:30][C:27]=1[CH:28]=O.[O:34]=[C:35]1[CH2:40][CH2:39][N:38]([C:41]([O:43][C:44]([CH3:47])([CH3:46])[CH3:45])=[O:42])[CH2:37][CH2:36]1.[Cl-].[NH4+]>ClCCl.O1CCCC1.CCCCCC>[C:44]([O:43][C:41]([N:38]1[CH2:37][CH2:36][C:35]([C:6]... | 1 |
[CH2:1]([NH:8][C@@H:9]([CH:11]1[CH2:13][CH2:12]1)[CH3:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[Br:14][CH2:15][C:16](Br)=[O:17]>C(Cl)Cl>[CH2:1]([N:8]([C@@H:9]([CH:11]1[CH2:13][CH2:12]1)[CH3:10])[C:16](=[O:17])[CH2:15][Br:14])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
S1C(=NC=C1)C=1C(=NC=CN1)C(C)N1C(C2=CC=CC=C2C1=O)=O>CCO[H].O.NN>S1C(=NC=C1)C=1C(=NC=CN1)C(C)N | 3 |
ONC(C1=CC=C(C=C1)CO)=N.C(C(C)C)N1N=CC(=C1C1=CC=NC=C1)C(=O)OCC>>C(C(C)C)N1N=CC(=C1C1=CC=NC=C1)C1=NC(=NO1)C1=CC=C(C=C1)CO | 5 |
CC1=CC=C(C=O)C=C1.BrC(C(=O)C(F)(F)F)Br>O.CO[H].N.O.O.O.C(C)(=O)[O-].[Na+]>C1(=CC=C(C=C1)C=1NC(=CN1)C(F)(F)F)C | 3 |
[F:1][C:2]([F:30])([F:29])[C:3]1[CH:7]=[C:6]([C:8]([F:11])([F:10])[F:9])[N:5]([CH2:12][C:13]2[CH:14]=[C:15]([C:25]([O:27]C)=[O:26])[N:16]([C:18]3[C:23]([Cl:24])=[CH:22][CH:21]=[CH:20][N:19]=3)[N:17]=2)[N:4]=1.[OH-].[Na+]>C(O)C.O>[F:30][C:2]([F:1])([F:29])[C:3]1[CH:7]=[C:6]([C:8]([F:11])([F:10])[F:9])[N:5]([CH2:12][C:13... | 1 |
C(C)(C)(C)[Si](C)(C)Cl.C(C)(C)(C)NCCO>>[Si](C)(C)(C(C)(C)C)OCCNC(C)(C)C | 5 |
Cl[C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([CH:11]([C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1)[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1)[C:6](CCNS(CC1C(Br)=CC=CC=1Br)(=O)=O)=[C:5]2CCCC1C=CC(C(O)=O)=CC=1.[H-].[Na+].C(Br)(C1C=CC=CC=1)C1C=CC=CC=1.O>CN(C=O)C>[CH:11]([N:7]1[C:8]2[C:4](=[CH:3][CH:2]=[CH:10][C... | 1 |
COC1=CC=C(C=C1)[Mg]Br.O=C1NC2=C(C=CC=C2C1=O)C(=O)OC>>OC1(C(NC2=C(C=CC=C12)C(=O)OC)=O)C1=CC=C(C=C1)OC | 5 |
Cl[C:2]1[C:7]([Cl:8])=[CH:6][C:5]([C:9]([F:12])([F:11])[F:10])=[CH:4][N:3]=1.[OH-].[Na+].CS(C)=[O:17].Cl>O>[Cl:8][C:7]1[C:2](=[O:17])[NH:3][CH:4]=[C:5]([C:9]([F:12])([F:11])[F:10])[CH:6]=1 | 1 |
[C:1]1(=[O:6])[O:5][CH:4]=[CH:3][O:2]1.[C:7]1(=[O:14])[O:11][CH2:10][CH:9]([CH:12]=C)[O:8]1.FC1C=CC=CC=1>>[C:1]1(=[O:6])[O:5][CH2:4][CH2:3][O:2]1.[C:7](=[O:14])([O:8][CH2:9][CH3:12])[O:11][CH3:10] | 1 |
C(C=C)C1=C(C(=O)OC)C=C(C(=C1)F)F>>C(C=C)C1=C(C=C(C(=C1)F)F)CO | 5 |
C(#N)C1=CC=C(C[C@@]2(C(N(C=3N2C(=CN3)C(=O)O)C3=CC(=C(C(=C3)Cl)F)Cl)=O)C)C=C1.Cl.C(C=C)OC(=O)C1(CC1)N>>C(C=C)OC(=O)C1(CC1)NC(=O)C1=CN=C2N1[C@](C(N2C2=CC(=C(C(=C2)Cl)F)Cl)=O)(C)CC2=CC=C(C=C2)C#N | 5 |
[O:1]=[C:2]1[N:6]([NH:7][S:8]([CH3:11])(=[O:10])=[O:9])[C:5](=[O:12])[CH2:4][S:3]1.[C:13]([C:15]1[CH:42]=[CH:41][C:18]([CH2:19][N:20]2[C:28]3[C:23](=[CH:24][C:25](/[CH:29]=C4/C(=O)N(CC(O)=O)C(=O)S/4)=[CH:26][CH:27]=3)[CH:22]=[N:21]2)=[C:17]([C:43]([F:46])([F:45])[F:44])[CH:16]=1)#[N:14]>>[C:13]([C:15]1[CH:42]=[CH:41][C... | 1 |
[Si](C)(C)(C(C)(C)C)OC[C@H]1CN(C[C@@H]1C1=CC=CC=C1)C(=O)OC1=CC=C(C=C1)C(=O)OC>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>OC[C@H]1CN(C[C@@H]1C1=CC=CC=C1)C(=O)OC1=CC=C(C=C1)C(=O)OC | 3 |
O[C@H]1COCC1.FC1=C(OC2=NC=NC(=C2C)OC2CCNCC2)C=CC(=C1)S(=O)(=O)C>C1CCCO1.CCN(CC)CC.C(=O)(C=1NC=CN1)C=1NC=CN1>O1C[C@@H](CC1)OC(=O)N1CCC(CC1)OC1=NC=NC(=C1C)OC1=C(C=C(C=C1)S(=O)(=O)C)F | 3 |
NC1=CC=CC=C1.C(C)OC(C(CC=1C(=NC(=NC1)Cl)Cl)C1=C(C=CC(=C1)OC)OC)=O>>C(C)OC(C(C)C1=C(C=CC(=C1)OC)OC)=O | 3 |
[Br:1][C:2]1[C:6]2[CH:7]=[N:8][C:9]([N+:12]([O-])=O)=[C:10]([OH:11])[C:5]=2[O:4][CH:3]=1.[C:15]1([CH2:21][CH:22](O)[CH3:23])[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.ClC1C(F)=CC=C(Cl)C=1[C@H](OC1C2OC=CC=2C=NC=1[N+]([O-])=O)C>[Fe].Cl>[Br:1][C:2]1[C:6]2[CH:7]=[N:8][C:9]([NH2:12])=[C:10]([O:11][CH:22]([CH3:23])[CH2:21][C:15... | 1 |
ClCC(=O)N1C2=C(C(CCC1)(C)C)C=CC(=C2)[N+](=O)[O-]>>CC1(C2=C(N(CCC1)C(CN1CCCC1)=O)C=C(C=C2)[N+](=O)[O-])C | 5 |
C(C=C)OC1=C(C=C(CN2CCC(CC2)(C(=O)OC(C)C)CCOC2=CC=CC=C2)C=C1)Cl>C1(=CC=CC=C1)C.C(C)(=O)O.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(C)[SiH](CC)CC>ClC=1C=C(CN2CCC(CC2)(C(=O)OC(C)C)CCOC2=CC=CC=C2)C=CC1O | 3 |
C1(=CC=CC=C1)CC(=O)Cl.CN1C=CC=2N=CN=C(C21)OC2=CC=C(N)C=C2>CN1C(CCC1)=O>CN1C=CC=2N=CN=C(C21)OC2=CC=C(C=C2)NC(CC2=CC=CC=C2)=O | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([Cl:8])=[CH:4][C:3]=1[C:9]([CH:11]1[CH2:16][CH2:15][NH:14][CH2:13][CH2:12]1)=[O:10].[C:17]([O:21][C:22](=[O:33])[NH:23][C@H:24]1[CH2:29][CH2:28][C@H:27]([CH2:30][CH:31]=O)[CH2:26][CH2:25]1)([CH3:20])([CH3:19])[CH3:18]>>[C:17]([O:21][C:22](=[O:33])[NH:23][C@H:24]1[CH2:25][CH2:26][C@H:27]([... | 1 |
[CH3:1][S:2]([C:5]1[CH:10]=[CH:9][C:8]([CH2:11][C:12]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)=O)=[CH:7][CH:6]=1)(=[O:4])=[O:3].Cl.[C:21]1([NH:27]N)[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1.B(F)(F)F.CCOCC>C(O)(=O)C>[C:14]1([C:12]2[NH:27][C:21]3[C:26]([C:11]=2[C:8]2[CH:9]=[CH:10][C:5]([S:2]([CH3:1])(=[O:4])=[O:3])=... | 1 |
[CH2:1]([C:4]1[C:8]([CH2:9][CH2:10][CH2:11][OH:12])=[CH:7][N:6]([C:13]2[CH:18]=[CH:17][C:16]([C:19]([F:22])([F:21])[F:20])=[CH:15][N:14]=2)[N:5]=1)[CH2:2][CH3:3].O[C:24]1[CH:25]=[C:26]([CH2:30][C:31]([O:33]C)=[O:32])[CH:27]=[CH:28][CH:29]=1.C(P(CCCC)CCCC)CCC.N(C(N1CCCCC1)=O)=NC(N1CCCCC1)=O>O1CCCC1>[CH2:1]([C:4]1[C:8]([... | 2 |
FC=1C(=C2C(=NC1)NC(=N2)C2=CC=C(C=C2)C(=O)N2CCOCC2)I>C1CCCO1.B.C1CCOC1>FC=1C(=C2C(=NC1)NC(=N2)C2=CC=C(C=C2)CN2CCOCC2)I | 3 |
FC1=C(C(=O)O)C=CC(=C1)C#N.COC1=CC=C(C(=O)NC=2C(=CC=CC2)N)C=C1>>FC1=C(C(=O)NC=2C(=CC=CC2)NC(C2=CC=C(C=C2)OC)=O)C=CC(=C1)C#N | 5 |
[Cl:1][C:2]1[C:7]2[CH:8]=[C:9]([C:11]([O:13]C)=O)[NH:10][C:6]=2[CH:5]=[CH:4][N:3]=1.CC(C)([O-])C.[K+].[C:21]([O:25][CH3:26])(=[O:24])[CH:22]=[CH2:23].[NH4+].[Cl-]>C1COCC1.C1(C)C=CC=CC=1>[Cl:1][C:2]1[C:7]2[CH:8]=[C:9]3[N:10]([C:6]=2[CH:5]=[CH:4][N:3]=1)[CH2:23][CH:22]([C:21]([O:25][CH3:26])=[O:24])[C:11]3=[O:13] | 1 |
C[Si](CCO)(C)C.BrC=1C=C2C(=CN=CC2=CC1)O>>OC1=CN=CC2=CC=C(C=C12)C(=O)OCC[Si](C)(C)C | 5 |
[Cl:1][C:2]1[N:3]=[C:4]([CH2:8][OH:9])[NH:5][C:6]=1[Cl:7].[OH-].[Na+].[CH3:12]I>CO>[Cl:1][C:2]1[N:3]=[C:4]([CH2:8][OH:9])[N:5]([CH3:12])[C:6]=1[Cl:7] | 2 |
C(C1=CC=CC=C1)OC(N[C@@H](C(=O)C1=CC(=CC=C1)Cl)CO[Si](C)(C)C(C)(C)C)=O>C1CCCO1.C(C)(CC)[BH-](C(C)CC)C(C)CC.[Li+].[Cl-].[NH4+]>C(C1=CC=CC=C1)OC(N[C@@H]([C@H](O)C1=CC(=CC=C1)Cl)CO[Si](C)(C)C(C)(C)C)=O | 3 |
[Al+3].[Cl-].[Cl-].[Cl-].[CH2:5]([C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1)[CH2:6][CH2:7][CH3:8].[Br:15][C:16]1[CH:21]=[CH:20][C:19]([CH2:22][C:23](Cl)=[O:24])=[CH:18][CH:17]=1.Cl>ClCCCl>[Br:15][C:16]1[CH:21]=[CH:20][C:19]([CH2:22][C:23]([C:12]2[CH:13]=[CH:14][C:9]([CH2:5][CH2:6][CH2:7][CH3:8])=[CH:10][CH:11]=2)=[O... | 1 |
Br[C:2]1[S:6][C:5]([C:7]2[CH:12]=[CH:11][N:10]=[CH:9][CH:8]=2)=[N:4][C:3]=1[CH2:13][C:14]1[CH:19]=[CH:18][C:17]([Cl:20])=[CH:16][CH:15]=1.C([Sn](CCCC)(CCCC)[C:26]1[NH:30][N:29]=[C:28]([C:31]([O:33][CH2:34][CH3:35])=[O:32])[CH:27]=1)CCC.[Cl-].[Li+]>O1CCOCC1.C(OCC)(=O)C.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC... | 1 |
C(#N)C=1C=C(C=CC1F)CCC1(CCN(CC1)C(CC1=CC=C(C=C1)N1N=NN=C1)=O)C(=O)OCC>>FC1=C(C#N)C=C(C=C1)CCC1(CCN(CC1)C(CC1=CC=C(C=C1)N1N=NN=C1)=O)CO | 5 |
BrC=1C=NC=NC1.C(CCCC#C)O>CC#N.C1(CCCCC1)NC1CCCCC1>N1=CN=CC(=C1)C#CCCCCO | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][NH:11][CH2:10][C@@H:9]1[CH2:14][CH2:15][OH:16])=[O:7])([CH3:4])([CH3:3])[CH3:2].CCN=C=NCCCN(C)C.Cl.C1C=CC2N(O)N=NC=2C=1.[CH:39]1[C:48]2[C:43](=[CH:44][CH:45]=[CH:46][CH:47]=2)[CH:42]=[CH:41][C:40]=1C(O)=O.CN([CH:55]=[O:56])C>CCCCCC.C(OCC)(=O)C.C(N(CC)CC)C>[C:1]([O:5][C:6]([N:8]1[... | 1 |
COC(NC=1OC2=C(N1)C(=CC=C2C2=CC=C(C=C2)F)OC)=O>>FC1=CC=C(C=C1)C1=CC=C(C=2N=C(OC21)N)OC | 5 |
FC=1C=C2C(=C(NC2=C(C1)F)C1=CC=C(C=C1)F)CCNC([C@H](C)NC(OC(C)(C)C)=O)=O>ClCCl.C(=O)(C(F)(F)F)O.CS(=O)C>N[C@H](C(=O)NCCC1=C(NC2=C(C=C(C=C12)F)F)C1=CC=C(C=C1)F)C | 3 |
Cl.Cl.[NH2:3][C@H:4]([C:11]1[CH:12]=[N:13][CH:14]=[CH:15][CH:16]=1)[CH2:5][C:6]([O:8]CC)=[O:7].[N:17]1([C:23]2[CH:32]=[C:31]3[C:26]([CH2:27][CH2:28][N:29]([CH2:34][C:35](N[C@H](C(O)=O)C)=[O:36])[C:30]3=[O:33])=[CH:25][CH:24]=2)[CH2:22][CH2:21][NH:20][CH2:19][CH2:18]1>CCOC(C)=O>[N:17]1([C:23]2[CH:32]=[C:31]3[C:26]([CH2:... | 1 |
C(C)(CC)N(C(CNC(OCC1C2=CC=CC=C2C=2C=CC=CC12)=O)=O)CC(OC)OC>N(C)(C)C=O.N1CCCCC1>NCC(=O)N(CC(OC)OC)C(C)CC | 3 |
[C:1]([C:4]1[C:22](=[O:23])[C@@:8]2([CH3:24])[C:9]3[C:15]([OH:16])=[CH:14][C:13]([O:17][CH3:18])=[C:12]([C:19]([NH2:21])=[O:20])[C:10]=3[O:11][C:7]2=[CH:6][C:5]=1[OH:25])(=[O:3])[CH3:2].[CH2:26]([C:28]1[CH:29]=[C:30](C=O)[C:31]2[C:36]([CH:37]=1)=[CH:35][CH:34]=[CH:33][CH:32]=2)[CH3:27].[CH2:40]([SiH](CC)CC)C.FC(F)(F)C(... | 2 |
[Cl:1][CH2:2][C:3](=[O:9])[CH2:4][C:5]([O:7][CH3:8])=[O:6].[CH3:10][Si:11](Cl)([CH3:13])[CH3:12].C(N(CC)CC)C>C(OCC)(=O)C>[Cl:1][CH2:2]/[C:3](/[O:9][Si:11]([CH3:13])([CH3:12])[CH3:10])=[CH:4]/[C:5]([O:7][CH3:8])=[O:6] | 1 |
C(C)(=O)NC1=NC=CC(=C1)C=1NC=2CC(CC(C2C1NC1=CC=CC=C1)=O)(C(=O)O)C.[Cl-].CO[C@H](C[NH2+]C)C>C(C)(C)N(C(C)C)CC.CN(C(C)=O)C.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(C)(=O)NC1=NC=CC(=C1)C=1NC=2CC(CC(C2C1NC1=CC=CC=C1)=O)(C(=O)N(C)C[C@H](C)OC)C | 3 |
S1C(=CC=C1)CC(=O)O.N(=[N+]=[N-])C/C=C/C(=O)OC>>C(C)(=O)SC(CC(=O)OC)CN=[N+]=[N-] | 5 |
[CH:1]12[CH2:7][CH:4]([CH2:5][CH2:6]1)[C:3](=O)[C:2]2=O.COP([CH2:16][C:17]([C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=1[O:25][CH3:26])=O)(=O)OC.O.[NH2:28][NH2:29]>>[CH3:26][O:25][C:20]1[CH:21]=[CH:22][CH:23]=[CH:24][C:19]=1[C:17]1[CH:16]=[C:3]2[C:2]([CH:1]3[CH2:7][CH:4]2[CH2:5][CH2:6]3)=[N:29][N:28]=1 | 1 |
NC1=NC=CC=C1C1=NC=2C(=NC(=CC2)C2=NN(N=C2[2H])C)N1C1=CC=C(C=C1)CO>ClCCl.ClS(Cl)=O>ClCC1=CC=C(C=C1)N1C(=NC=2C1=NC(=CC2)C2=NN(N=C2[2H])C)C=2C(=NC=CC2)N | 3 |
C=1C=CC(=CC1)[C@@H]2[C@H](O2)C=3C=CC=CC3.CCOCCOCCCN>O.CC(=O)C>C(C)OCCOCCCNC(C(O)C1=CC=CC=C1)C1=CC=CC=C1 | 3 |
[ClH:1].C1(C[N:9]2[CH2:14][CH2:13][C:12]([NH:16][C:17](=[O:19])[CH3:18])([CH3:15])[CH2:11][CH2:10]2)C=CC=CC=1.[H][H]>CO.[Pd]>[ClH:1].[CH3:15][C:12]1([NH:16][C:17](=[O:19])[CH3:18])[CH2:13][CH2:14][NH:9][CH2:10][CH2:11]1 | 1 |
[C:1]1([N:7]2[C:11]([NH:12][C:13](=[O:15])[O-])=[CH:10][CH:9]=[N:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH3:16][O:17][C:18]1[CH:19]=[C:20]2[C:25](=[CH:26][C:27]=1[O:28][CH2:29][CH2:30][O:31][CH3:32])[N:24]=[CH:23][N:22]=[C:21]2[O:33][C:34]1[CH:35]=[C:36]([CH:38]=[CH:39][CH:40]=1)[NH2:37].C(N(CC)[CH:45]([CH3:47])[CH3:4... | 1 |
Cl.ON.C(C=CC=C)N1C(=NC=C1)C=O>>C(C=CC=C)N1C(=NC=C1)C=NO | 5 |
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