smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C1=CC=CC=C1)(=O)C=1OC2=C(C1)C(=CC=C2OC)C(=O)NC2=C(C=CC=C2Cl)Cl>ClCCl.B(Br)(Br)Br>C(C1=CC=CC=C1)(=O)C=1OC2=C(C1)C(=CC=C2O)C(=O)NC2=C(C=CC=C2Cl)Cl | 3 |
[N:1]12[CH2:8][CH2:7][CH:4]([CH2:5][CH2:6]1)[CH:3]([NH:9][C:10]([C:12]1[O:13][C:14]([C:17]3[CH:22]=[CH:21][C:20]([NH2:23])=[CH:19][CH:18]=3)=[CH:15][CH:16]=1)=[O:11])[CH2:2]2.[C:24]([Cl:32])(=[O:31])[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1>ClCCl>[ClH:32].[N:1]12[CH2:6][CH2:5][CH:4]([CH2:7][CH2:8]1)[CH:3]([NH:9][C... | 1 |
C(C)(C)(C)OC(=O)NC1=CC=C(C=C1)CCC=1N=C(SC1CC1=CC=C(C=C1)S(=O)(=O)C)NC(OCC)=O>>NC1=CC=C(C=C1)CCC=1N=C(SC1CC1=CC=C(C=C1)S(=O)(=O)C)NC(OCC)=O | 5 |
C[O:2][C:3]1[CH:12]=[CH:11][C:10]2[N:9]=[C:8]([NH:13][CH2:14][C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=3)[C:7]([C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=3)=[N:6][C:5]=2[C:4]=1[C:27]([O:29]C)=[O:28].B(Br)(Br)Br>ClCCl>[OH:2][C:3]1[CH:12]=[CH:11][C:10]2[N:9]=[C:8]([NH:13][CH2:14][C:15]3[CH:16]=[CH:17][CH:18]=[CH:19]... | 2 |
[Si:1]([O:8][CH2:9][C@H:10]1[CH2:14][CH2:13][C:12](=[O:15])[N:11]1[CH2:16][C:17](=[S:19])[NH2:18])([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].Br[CH2:21][C:22](=O)[C:23]([O:25][CH2:26][CH3:27])=[O:24].N1C=CN=C1.[Si](Cl)(C(C)(C)C)(C)C>CN(C)C=O.O.C(OCC)(=O)C>[Si:1]([O:8][CH2:9][C@H:10]1[CH2:14][CH2:13][C:12](=[O:15])... | 1 |
C(C)(C)I.C(C)OC1=CC(=C(C=C1)C(=O)N1CCC2(CC1)OC=1C=CC=CC1C=1N(N=CC12)C)O>>C(C)OC1=CC(=C(C=C1)C(=O)N1CCC2(CC1)OC=1C=CC=CC1C=1N(N=CC12)C)OC(C)C | 5 |
O=[C:2]([CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][N:15]=1)[CH:3]([NH:5][C:6](=[O:12])[O:7][C:8]([CH3:11])([CH3:10])[CH3:9])[CH3:4].[NH2:20][C:21]1[CH:28]=[CH:27][CH:26]=[C:25]([Cl:29])[C:22]=1[CH:23]=O.CCO.[OH-].[K+]>>[Cl:29][C:25]1[CH:26]=[CH:27][CH:28]=[C:21]2[C:22]=1[CH:23]=[C:13]([C:14]1[CH:19]=[CH:18][CH:17]=[... | 2 |
[C:1]([Si:5]([CH3:15])([CH3:14])[O:6][C:7]1[CH:12]=[CH:11][C:10]([NH2:13])=[CH:9][CH:8]=1)([CH3:4])([CH3:3])[CH3:2].[Cl:16][CH2:17][CH2:18][C:19](Cl)=[O:20]>>[C:1]([Si:5]([CH3:15])([CH3:14])[O:6][C:7]1[CH:8]=[CH:9][C:10]([NH:13][C:19](=[O:20])[CH2:18][CH2:17][Cl:16])=[CH:11][CH:12]=1)([CH3:4])([CH3:3])[CH3:2] | 1 |
FC1=C(C=C(C=C1)CC(=O)OCC)C(=O)N1CCC(CC1)OC>O.C1CCCO1.[OH-].[Li+]>FC1=C(C=C(C=C1)CC(=O)O)C(=O)N1CCC(CC1)OC | 3 |
[C:1](=[O:4])([O-])[O-].[K+].[K+].S([O:12][CH3:13])(OC)(=O)=O.CC(C)=O.[CH3:18][O:19][C:20]1[C:25]([O:26][CH3:27])=[CH:24][C:23]([O:28][CH3:29])=[C:22](O)[C:21]=1O>CCOC(C)=O.CCCCCC>[CH3:29][O:28][C:23]1[CH:24]=[C:25]([O:26][CH3:27])[C:20]([O:19][CH3:18])=[C:21]([O:12][CH3:13])[C:22]=1[O:4][CH3:1] | 2 |
BrCC(=O)OCC.O1C(=CC=C1)C=1C2=C(N=C(N1)N)N=NN2>>NC=1N=C(C2=C(N1)N(N=N2)CC(=O)OCC)C=2OC=CC2 | 5 |
C(#N)CC(=O)O.S1(C=CC2=C1C=C(C=C2)N)(=O)=O>ClCCl.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>C(#N)CC(=O)NC=1C=CC2=C(S(C=C2)(=O)=O)C1 | 3 |
[C:1]([C:3]1[C:4]([O:13][CH2:14][CH2:15][OH:16])=[N:5][NH:6][C:7]=1[N:8]=[CH:9][N:10](C)C)#[N:2].[CH3:17][C:18]1[CH:19]=[C:20]([CH:22]=[CH:23][C:24]=1[O:25][CH2:26][C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1)N>>[CH2:26]([O:25][C:24]1[CH:23]=[CH:22][C:20]([NH:2][C:1]2[N:10]=[CH:9][N:8]=[C:7]3[NH:6][N:5]=[C:4]([O:13][... | 1 |
NC1=C(C#N)C=CC=C1>c1ccncc1.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>C(#N)C1=C(NS(=O)(=O)C2=CC=C(C=C2)C)C=CC=C1 | 3 |
FC1=C(C=2CC(C(NC2C=C1)C1=CC(=CC=C1)N1CCOCC1)(C)C)C(=O)O>N(C)(C)C=O.C(=O)(C=1NC=CN1)C=1NC=CN1.[H-].[Na+].CS(=O)(=O)N>FC1=C(C=2CC(C(NC2C=C1)C1=CC(=CC=C1)N1CCOCC1)(C)C)C(=O)NS(=O)(=O)C | 3 |
C(C)(C)(C)OC(=O)NCC1=C(CN)C=C(C=C1)Cl>>CNCC1=C(CNC(OC(C)(C)C)=O)C=CC(=C1)Cl | 5 |
C(C)(=O)N1CCC(CC1)C1=CC=C(C=C1)C=1C=C2C(=CNC2=CC1Cl)C(=O)OC>CO[H].[OH-].[Na+]>C(C)(=O)N1CCC(CC1)C1=CC=C(C=C1)C=1C=C2C(=CNC2=CC1Cl)C(=O)O | 3 |
C1(=CC=CC2=CC=CC=C12)S(=O)(=O)Cl.NCC1=NC2=CC=CC=C2C(=N1)NC1=CC=CC=C1>C1CCCO1.c1ccncc1>C1(=CC=CC=C1)NC1=NC(=NC2=CC=CC=C12)CNS(=O)(=O)C1=CC=CC2=CC=CC=C12 | 3 |
C(C)(C)(C)OC(=O)N(C1=CC(=NC=2N1N=CC2C2CC2)NCC2C(CN(CC2)C(=O)OC(C)(C)C)(F)F)CC2=CC=C(C=C2)C2=NC=CC=C2>Cl.O1CCOCC1>C1(CC1)C=1C=NN2C1N=C(C=C2N)N(CC2=CC=C(C=C2)C2=NC=CC=C2)CC2C(CNCC2)(F)F | 3 |
C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\[C@@H](COC3=O)O)(C)CO)O.C1(=CC=CC=C1)C.CS(=O)C>COC(C)(C)OC.C1(=CC=C(C=C1)S(=O)(=O)[O-])C.[NH+]1=CC=CC=C1>C[C@@]12CC[C@@H]3[C@]([C@H]1CCC(=C)[C@H]2C/C=C/4\[C@@H](COC4=O)O)(COC(O3)(C)C)C | 3 |
Br[C:2]1[CH:7]=[CH:6][C:5]([F:8])=[CH:4][C:3]=1[CH:9]=[CH2:10].[Cu][C:12]#[N:13].Cl>CN(C)C=O>[F:8][C:5]1[CH:6]=[CH:7][C:2]([C:12]#[N:13])=[C:3]([CH:9]=[CH2:10])[CH:4]=1 | 1 |
IC1CN(C1)C(=O)OC(C)(C)C.ClC1=NC=CC2=CC(=CC=C12)O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC1=NC=CC2=CC(=CC=C12)OC1CN(C1)C(=O)OC(C)(C)C | 3 |
C(C)(C)(C)OC(=O)NC1=CC=C(C=C1)N.BrC(C(=O)Br)CCBr>>BrC(C(=O)NC1=CC=C(C=C1)NC(=O)OC(C)(C)C)CCBr | 5 |
BrCC1=CC=C(C#N)C=C1.OC1=C(C2=C(C(=NO2)CCC2CCN(CC2)C(=O)OC(C)(C)C)C=C1)CO>C([O-])([O-])=O.[K+].[K+].CC(=O)C>C(#N)C1=CC=C(COC2=C(C3=C(C(=NO3)CCC3CCN(CC3)C(=O)OC(C)(C)C)C=C2)CO)C=C1 | 3 |
ClC1=C(C=CC=C1OC)O>C=O.CCN(CC)CC.Cl.ClCCCl>ClC=1C(=C(C=O)C=CC1OC)O | 3 |
CN(C(OC(C)(C)C)=O)CC(NC1(CC1)C(F)(F)F)=O>ClCCl.Cl.O1CCOCC1>ClN(CC(=O)NC1(CC1)C(F)(F)F)C | 3 |
C(#N)C=1C=CC2=C(N(C=N2)C[C@@H]2C[C@](CCC2)(O)CNCC2(CN(CC2)C(=O)OC(C)(C)C)C)C1>C(=O)(C=1NC=CN1)C=1NC=CN1.O1CCOCC1>C(#N)C=1C=CC2=C(N(C=N2)C[C@@H]2C[C@]3(CN(C(O3)=O)CC3(CN(CC3)C(=O)OC(C)(C)C)C)CCC2)C1 | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]1[CH:12]=[C:11]([C:13]2[CH2:14][CH2:15][N:16]([C:19]([O:21][C:22]([CH3:25])([CH3:24])[CH3:23])=[O:20])[CH2:17][CH:18]=2)[N:10]=[N:9]1.[C:26](C1CCN(C(OC(C)(C)C)=O)CC=1)#CC>>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]1[C:12]([CH3:26])=[C:11]([C:13]2[CH2:14][CH2:15]... | 1 |
CCN=C=NCCCN(C)C.Cl.Cl.NC1=C(C(=O)O)C(=CC(=C1)F)F>C1CCCO1.CCN(CC)CC.N.OC1=CC=CC=2NN=NC21>NC1=C(C(=O)N)C(=CC(=C1)F)F | 3 |
C1(CCC1)OCC(=O)NC12CC(C1)(C2)C(=O)OC>O.CCO[H].NN>C1(CCC1)OCC(=O)NC12CC(C1)(C2)C(=O)NN | 3 |
CN.BrC=1C=C(C2=CC=CC=C2C1)C=O>CO[H].[BH4-].[K+]>BrC=1C=C(C2=CC=CC=C2C1)CNC | 3 |
Br[C:2]1[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[C:4]([CH3:12])[CH:3]=1.[C:13]([Cu])#[N:14]>CN(C=O)C.CCOC(C)=O>[C:13]([C:2]1[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[C:4]([CH3:12])[CH:3]=1)#[N:14] | 2 |
[CH3:1][OH:2].[H-].[Na+].[NH2:5][C:6]1[CH:11]=[N:10][CH:9]=[C:8](Cl)[N:7]=1>O1CCOCC1.C(OCC)(=O)C>[NH2:5][C:6]1[CH:11]=[N:10][CH:9]=[C:8]([O:2][CH3:1])[N:7]=1 | 1 |
C(=O)C=1N=CSC1.NC1=NC=CC(=C1)C=1C=C(C=CC1)NC([C@H](CC1=CC=CC=C1)NC(OC(C)(C)C)=O)=O>>NC1=NC=CC(=C1)C=1C=C(C=CC1)NC([C@H](CC1=CC=CC=C1)NCC=1N=CSC1)=O | 5 |
[CH:1]([NH:4][C:5]1[C:14]2[C:9](=[CH:10][C:11]([C:15]3[CH:16]=[C:17]([CH:23]=[CH:24][C:25]=3[CH3:26])[C:18]([O:20]CC)=[O:19])=[CH:12][CH:13]=2)[CH:8]=[N:7][N:6]=1)([CH3:3])[CH3:2].[OH-].[K+]>C(O)C.O>[CH:1]([NH:4][C:5]1[C:14]2[C:9](=[CH:10][C:11]([C:15]3[CH:16]=[C:17]([CH:23]=[CH:24][C:25]=3[CH3:26])[C:18]([OH:20])=[O:1... | 1 |
[NH2:1][C:2]1[N:3]=[C:4]([N:17]2[CH2:22][CH2:21][NH:20][CH2:19][CH2:18]2)[C:5]2[C:10]([C:11]3[CH:12]=[N:13][CH:14]=[CH:15][CH:16]=3)=[CH:9][S:8][C:6]=2[N:7]=1.[CH3:23][O:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=1[N:31]=[C:32]=[O:33]>ClCCl.C(#N)C>[NH2:1][C:2]1[N:3]=[C:4]([N:17]2[CH2:22][CH2:21][N:20]([C:32]([NH:31... | 1 |
[Cl:1][C:2]1[N:3]=[C:4]([N:12]2[CH2:17][CH2:16][O:15][CH2:14][CH2:13]2)[C:5]2[N:10]=[C:9](I)[S:8][C:6]=2[N:7]=1.[C:18]([NH:21][C:22]1[CH:23]=[C:24](B(O)O)[CH:25]=[CH:26][CH:27]=1)(=[O:20])[CH3:19]>>[Cl:1][C:2]1[N:3]=[C:4]([N:12]2[CH2:17][CH2:16][O:15][CH2:14][CH2:13]2)[C:5]2[N:10]=[C:9]([C:26]3[CH:27]=[C:22]([NH:21][C:... | 1 |
[Br-].C[Mg+].C(C)(=O)C1=CC(=CS1)C(=O)O>C1CCCO1.Cl.[Cl-].[NH4+]>OC(C)(C)C1=CC(=CS1)C(=O)O | 3 |
[F:1][C:2]1[CH:3]=[CH:4][C:5]([O:10][C:11]2[CH:20]=[CH:19][C:14]3[C:15]([CH3:18])=[N:16][O:17][C:13]=3[CH:12]=2)=[C:6]([CH:9]=1)[CH2:7][NH2:8].FC(F)(F)C[O:24][C:25](=O)[NH:26][C:27]1[N:28]([C:36]2[CH:41]=[CH:40][C:39]([CH3:42])=[CH:38][CH:37]=2)[N:29]=[C:30]([C:32]([CH3:35])([CH3:34])[CH3:33])[CH:31]=1.C(N(C(C)C)CC)(C)... | 1 |
Cl.C(O[C:7]([N:9]1[CH2:14][CH2:13][N:12]([S:15]([C:18]2[CH:23]=[CH:22][C:21]([C:24]3[CH:29]=[CH:28][N:27]=[CH:26][CH:25]=3)=[CH:20][CH:19]=2)(=[O:17])=[O:16])[CH2:11][CH2:10]1)=[O:8])(C)(C)C.Cl.CO.[CH2:33]([Cl:35])[Cl:34].O1[CH2:40][CH2:39][CH2:38][CH2:37]1>CO>[ClH:34].[Cl:35][C:33]1[CH:37]=[C:38]2[C:26](=[CH:25][CH:24... | 1 |
NC1COCC1.ClC=1C=2N(N=CC1C#N)C=CC2>>O1CC(CC1)NC=1C=2N(N=CC1C#N)C=CC2 | 5 |
C1(CC1)C(=O)Cl.N1=C(C=NC2=CC=CC=C12)C=1C=C(C=CC1)N>>N1=C(C=NC2=CC=CC=C12)C=1C=C(C=CC1)NC(=O)C1CC1 | 5 |
[C:1]([C:4]1[CH:9]=[CH:8][N:7]=[CH:6][CH:5]=1)(=[O:3])C.[CH:10]1[C:11](/[CH:26]=[N:27]/[OH:28])=[CH:12][CH:13]=[N+:14]([CH2:16][N+:17]2[CH:22]=[CH:21][C:20](/[CH:23]=[N:24]/[OH:25])=[CH:19][CH:18]=2)[CH:15]=1.[Br-:29].[Br-].C(C1C=CN=CC=1)=O.C1C(/C=N/O)=CC=[N+](C[N+]2C=CC(/C=N/O)=CC=2)C=1.[Br-].[Br-]>>[CH:1]([C:4]1[CH:9... | 1 |
Cl.NCC1=CC=C(C=C1)B(O)O.BrC1=CN=C2N1N=C(C=C2)NC2CCCCC2>O.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].P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>NCC1=CC=C(C=C1)C1=CN=C2N1N=C(C=C2)NC2CCCCC2 | 3 |
[NH2:1][C:2]1[C:10]([N+:11]([O-:13])=[O:12])=[CH:9][C:8]([O:14][CH3:15])=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].[N+](=[CH2:18])=[N-]>CO>[CH3:18][O:5][C:4](=[O:6])[C:3]1[CH:7]=[C:8]([O:14][CH3:15])[CH:9]=[C:10]([N+:11]([O-:13])=[O:12])[C:2]=1[NH2:1] | 1 |
N1N=CC2=CC(=CC=C12)\C(=C(/CC)\C1=CC=CC=C1)\C1=CC=C(C=C1)/C=C/C(=O)OCC>>N1N=CC2=CC(=CC=C12)\C(=C(/CC)\C1=CC=CC=C1)\C1=CC=C(C=C1)CCC(=O)O | 5 |
CC=1C=CC(=NC1)C1=CC(=NN1C=1C=NC=CC1)C(=O)O.Cl.N1NCCCC1>N(C)(C)C=O.ClCCl.CCN(CC)CC.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>CC=1C=CC(=NC1)C1=CC(=NN1C=1C=NC=CC1)C(=O)N1NCCCC1 | 3 |
[C:1]([C:3]1[C:4]([C:14]2[CH:19]=[CH:18][C:17]([C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][C:21]=3[C:26]#[N:27])=[CH:16][CH:15]=2)=[C:5]([C:11]([OH:13])=[O:12])[N:6]([CH3:10])[C:7]=1[CH2:8][CH3:9])#[N:2].[CH3:28][S:29]([CH3:31])=[O:30].O>>[CH3:28][S:29]([CH3:31])=[O:30].[C:1]([C:3]1[C:4]([C:14]2[CH:19]=[CH:18][C:17]([C:20]3[... | 1 |
C1(CCCC1)C(=O)Cl.ClC1=CC2=C(N(C(CN=C2C2=CC=CC=C2)=O)C)C=C1.NC=1C(=NC(=CN1)C(=N)NO)C(=O)NC>>NC=1C(=NC(=CN1)C1=NOC(=N1)C1CCCC1)C(=O)NC | 5 |
S1CCC(CC1)=O>>Cl.NC1(CCSCC1)C#N | 5 |
C(C)(C)(C)S(=O)(=O)C[C@H](CC)N1C([C@H](O[C@@H]([C@H]1C1=CC=C(C=C1)Cl)C1=CC(=CC=C1)Cl)CC#N)=O>>N1N=NN=C1C[C@@H]1C(N([C@@H]([C@H](O1)C1=CC(=CC=C1)Cl)C1=CC=C(C=C1)Cl)[C@H](CS(=O)(=O)C(C)(C)C)CC)=O | 5 |
NC1=C2C(N(C(C2=CC=C1)=O)CC1=CC=C(C=C1)OC)C1=C(C=CC=C1)C.FC=1C=C(C=2N(C1)C(=NC2)C(=O)Cl)F>ClCCl.c1ccncc1>FC=1C=C(C=2N(C1)C(=NC2)C(=O)NC2=C1C(N(C(C1=CC=C2)=O)CC2=CC=C(C=C2)OC)C2=C(C=CC=C2)C)F | 3 |
C(CCCC#CCCCCCCCC#C)OC1OCCCC1>>C(CCCC#CCCCCCCCC#C)O | 5 |
Br[CH2:2][C:3]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1)=[O:4].C([O-])([O-])=O.[K+].[K+].[SH:17][C:18]1[CH:26]=[CH:25][C:21]([C:22]([OH:24])=[O:23])=[CH:20][CH:19]=1>C(O)C>[O:4]=[C:3]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1)[CH2:2][S:17][C:18]1[CH:26]=[CH:25][C:21]([C:22]([OH:24])=[O:23])=[CH:20][CH:19]=1 | 1 |
C1(CCCCC1)C1=C(N=CN1C1=CC=CC=C1)C(=O)OC>>C1(CCCCC1)C1=C(N=CN1C1=CC=CC=C1)C(=O)O | 5 |
CC(C)([O-])C.[K+].[CH3:7][C:8]1[CH:13]=[CH:12][C:11]([CH2:14][C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])=[CH:10][CH:9]=1.Br[CH:23]([CH2:25][CH3:26])[CH3:24].O>CN(C=O)C.C(OCC)C>[CH3:24][CH:23]([CH2:25][CH3:26])[CH:14]([C:11]1[CH:10]=[CH:9][C:8]([CH3:7])=[CH:13][CH:12]=1)[C:15]([O:17][C:18]([CH3:21])([CH3:20... | 1 |
C(C=C=C)N(CCCN(CCCCCCCCN(CCCN(C(=O)OC(C)(C)C)CC=C=C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C>C(C)OCC.CCO[H].Cl>C(C=C=C)NCCCNCCCCCCCCNCCCNCC=C=C | 3 |
C([N:3]([CH2:6][CH3:7])[CH2:4][CH3:5])C.[Br:8][CH2:9][CH2:10][CH2:11][CH2:12][C:13](Cl)=[O:14]>CN(C1C=CN=CC=1)C.C(Cl)Cl.C(OCC)(=O)C>[O:14]1[CH2:5][CH2:4][N:3]([C:13](=[O:14])[CH2:12][CH2:11][CH2:10][CH2:9][Br:8])[C:6]2[CH:7]=[CH:10][CH:11]=[CH:12][C:13]1=2 | 1 |
NC1=CC=CC=C1.C=C1C(NC(CC1)=O)=O>CC#N.CCN(CC)CC>C1(=CC=CC=C1)NCC1C(NC(CC1)=O)=O | 3 |
ClC(=O)OC(C)Cl.C(C1=CC=CC=C1)(C1=CC=CC=C1)N1CC(C1)C=1OC2=C(C1C)C=CC=C2>ClCCl>Cl.CC1=C(OC2=C1C=CC=C2)C2CNC2 | 3 |
FC(C1=CC=C(CBr)C=C1)(F)F.N1=C(N2CCOC3=CC=CC1=C23)NS(=O)(=O)C2=CC=CC=C2>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>FC(C1=CC=C(CN2C(N3CCOC4=CC=CC2=C34)=NS(=O)(=O)C3=CC=CC=C3)C=C1)(F)F | 3 |
[C:1]([C:5]1[CH:6]=[C:7]2[C:12](=[CH:13][CH:14]=1)[C:11](=[O:15])[N:10]([C:16]1[C:17]([CH:49]=[O:50])=[C:18]([N:22]3[CH:26]=[C:25]([C:27]#[N:28])[C:24]([NH:29][C:30]([C:43]4[CH:48]=[CH:47][CH:46]=[CH:45][CH:44]=4)([C:37]4[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=4)[C:31]4[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=4)=[N:23]3)[CH... | 1 |
ClC=1C=C(C#N)C=CC1>CCO[H].C(C)(C)N(C(C)C)CC.Cl.NO>ClC=1C=C(C(=N)NO)C=CC1 | 3 |
[F:1][C:2]1[C:3](=[O:9])[NH:4][C:5](=[O:8])[NH:6][CH:7]=1.[F:10]F.[F:12][C:13]([F:17])([F:16])[CH2:14][OH:15]>>[F:1][C:2]1([F:10])[CH:7]([O:15][CH2:14][C:13]([F:17])([F:16])[F:12])[NH:6][C:5](=[O:8])[NH:4][C:3]1=[O:9] | 1 |
BrC=1C=C(C=CC1)C1(COC1)CNC(OC(C)(C)C)=O>ClCCl.O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+]>CC1(OB(OC1(C)C)C=1C=C(C=CC1)C1(COC1)CNC(OC(C)(C)C)=O)C | 3 |
[CH3:1][CH:2]([O:4][C:5]1[CH:10]=[CH:9][C:8]([C:11]2[O:15][N:14]=[C:13]([C:16]3[CH:17]=[C:18]4[C:22](=[CH:23][CH:24]=3)[N:21]([CH2:25][CH2:26][C:27]([O:29]CC)=[O:28])[N:20]=[CH:19]4)[N:12]=2)=[CH:7][C:6]=1[C:32]([F:35])([F:34])[F:33])[CH3:3].[OH-].[Na+]>C(O)C>[CH3:3][CH:2]([O:4][C:5]1[CH:10]=[CH:9][C:8]([C:11]2[O:15][N... | 1 |
[C:1]([O-:4])(=O)[CH3:2].[Na+].[CH2:6]1[C:11](=O)N(Br)[C:8](=O)[CH2:7]1>CC1(C)N([O])C(C)(C)CCC1.C(OCC)(=O)C>[CH2:8]([CH2:2][CH:1]=[O:4])[CH2:7][C:6]1[CH:11]=[CH:8][CH:7]=[CH:6][CH:11]=1 | 1 |
BrC1=CC=C(N)C=C1.FC(COC1=C(C(=O)O)C=C(C(=N1)NC)[N+](=O)[O-])F>>BrC1=CC=C(C=C1)NC(C1=C(N=C(C(=C1)[N+](=O)[O-])NC)OCC(F)F)=O | 5 |
BrC=1C=C(C(=NC1)NC)N>N(C)(C)C=O.O.C(=O)(C=1NC=CN1)C=1NC=CN1>BrC=1C=C2C(=NC1)N(C(N2)=O)C | 3 |
C(C)(C)(C)OC(=O)NC1CC(CCC1)C(=O)O.[Si](C)(C)(C(C)(C)C)O[C@@H](C(=O)NN)C>ClCCl.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>[Si](C)(C)(C(C)(C)C)O[C@@H](C(=O)N(N)C(=O)C1CC(CCC1)NC(OC(C)(C)C)=O)C | 3 |
[Br:1][C:2]1[CH:7]=[C:6]([CH3:8])[C:5]([C:9]2[CH:10]=[C:11]([C:20]#[N:21])[N:12]3[C:17](Cl)=[CH:16][C:15]([CH3:19])=[N:14][C:13]=23)=[C:4]([CH3:22])[CH:3]=1.[CH2:23]([CH:26]([NH2:30])[CH2:27][CH2:28][CH3:29])[CH2:24][CH3:25].C(N(CC)C(C)C)(C)C.C(=O)([O-])O.[Na+]>C(O)C>[Br:1][C:2]1[CH:7]=[C:6]([CH3:8])[C:5]([C:9]2[CH:10]... | 1 |
COC=1C=C(C(=O)O)C=C(C1OC)OC.C1(=CC=CC=C1)C(C1=CC=CC=C1)=NC1=CC2=C(SC(=C2C)C2=NC(=NC=C2)N)C=C1>>NC1=NC=CC(=N1)C1=C(C2=C(S1)C=CC(=C2)NC(C2=CC(=C(C(=C2)OC)OC)OC)=O)C | 5 |
[CH2:1]([OH:6])[C:2]([CH3:5])([CH3:4])[CH3:3].[CH3:7][N:8]([CH:10]=[O:11])C.[H-].[Na+].[Br:14][C:15]1[CH:16]=[C:17]2[C@:28]3([N:33]=C(N)[CH2:31][O:30][CH2:29]3)[C:27]3[CH:26]=[C:25](Cl)[N:24]=[CH:23][C:22]=3[O:21][C:18]2=[CH:19][CH:20]=1>C(OCC)(=O)C.O.[Cl-].[Na+].O>[Br:14][C:15]1[CH:16]=[C:17]2[C@:28]3([N:33]=[C:7]([NH... | 1 |
C(C(C)C)[Mg]Br.COC(C1=CC=C(C=C1)C(C1=CC(=C(C=C1)OC)Br)=O)=O>>COC(C1=CC=C(C=C1)C(CCCCCC)(O)C1=CC(=C(C=C1)OC)Br)=O | 5 |
[H-].[Na+].[Cl:3][C:4]1[C:9]([NH:10][S:11]([CH2:14][CH3:15])(=[O:13])=[O:12])=[CH:8][C:7]([C:16]2[CH:17]=[C:18]3[C:23](=[CH:24][CH:25]=2)[N:22]=[CH:21][N:20]=[C:19]3[N:26]2[CH2:31][CH2:30][O:29][CH2:28][CH2:27]2)=[CH:6][N:5]=1.[CH3:32]I>CN(C=O)C>[Cl:3][C:4]1[C:9]([N:10]([CH3:32])[S:11]([CH2:14][CH3:15])(=[O:12])=[O:13]... | 2 |
FC1=C(C=C(C=C1)[N+](=O)[O-])C>N(C)(C)C=O.c1cnc[nH]1.C([O-])([O-])=O.[Na+].[Na+]>CC=1C=C(C=CC1[N+](=O)[O-])N1C=NC=C1 | 3 |
BrC1=C(C=CC(=C1)F)CCI>>[I-].BrC1=C(CC[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=CC(=C1)F | 5 |
COC(=O)C=1N=NC(=CC1)Cl.Cl.ClC1=C(CC2(CCNCC2)C#N)C=CC=C1>O.C1CCCO1.C([O-])([O-])=O.[K+].[K+].[I-].C(CCC)[N+](CCCC)(CCCC)CCCC>ClC1=C(CC2(CCN(CC2)C2=CC=C(N=N2)C(=O)OC)C#N)C=CC=C1 | 3 |
ClC1=C(C=NN1C)[N+](=O)[O-].Cl.S1CCNCCC1>>CN1N=CC(=C1N1CC2CCC(C1)O2)[N+](=O)[O-] | 5 |
ClC=1C=CC(=C(C1)C1=NC=NC(=C1)OC)N1N=NC(=C1)Cl>O.C(C)(=O)O.Br>ClC=1C=CC(=C(C1)C1=CC(=NC=N1)O)N1N=NC(=C1)Cl | 3 |
CN1C(C2=CC=C(C=C2C1=O)[N+](=O)[O-])=O>>NC=1C=C2C(C(=O)N(C2=O)C)=CC1 | 5 |
[N:1]([C:4](=[CH:9][C:10]1[CH:15]=[CH:14][C:13]([CH:16]([P:18]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[OH:17])=[CH:12][CH:11]=1)[C:5]([O:7][CH3:8])=[O:6])=[N+]=[N-].[H][H].C(Cl)(Cl)Cl.CO>CO.[Pd]>[C:26]([O:25][P:18]([CH:16]([OH:17])[C:13]1[CH:14]=[CH:15][C:10]([CH2:9][... | 1 |
[CH:1]([NH:3][C:4]1[S:5][C:6]([Br:38])=[C:7]([C:9](=[N:35][O:36][CH3:37])[C:10]([NH:12][CH:13]2[C:33](=[O:34])[N:15]3[C:16]([C:20]([O:22]CC4C=CC([N+]([O-])=O)=CC=4)=[O:21])=[CH:17][CH2:18][S:19][C@H:14]23)=[O:11])[N:8]=1)=[O:2].O1CCCC1.CO>[Pd].C(O)(=O)C>[CH:1]([NH:3][C:4]1[S:5][C:6]([Br:38])=[C:7]([C:9](=[N:35][O:36][C... | 1 |
CNC=1C(=CC(=CC1)[N+](=O)[O-])N>N(C)(C)C=O.C(=O)(C=1NC=CN1)C=1NC=CN1>CN1C(NC2=C1C=CC(=C2)[N+](=O)[O-])=O | 3 |
CC1=NC2=C(C=CC(=C2C=C1)C)OC>[HH].C(C)(C)O.[Al].[Ni]>CC1NC2=C(C=CC(=C2CC1)C)OC | 3 |
C(C1=CC=CC=C1)P(OCC)(OCC)=O.CC1(OC=2C(C1)C(C(=C(C2C)C)[N+](=O)[O-])C=O)C>C1CCCO1.[H-].[Na+]>CC1(OC=2C(C1)C(C(=C(C2C)C)[N+](=O)[O-])C=CC2=CC=CC=C2)C | 3 |
[CH3:1][CH:2]([CH3:29])[CH2:3][CH2:4][NH:5][C:6]([C:8]1[CH:21]=[CH:20][C:19]2[S:18][C:17]3[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=3)[N:11]([CH:22]([CH3:28])[CH2:23][N:24]([CH2:26][CH3:27])[CH3:25])[C:10]=2[CH:9]=1)=S.[ClH:30].C(O)(=O)/C=C/C(O)=[O:35]>C(O)C.C(OC(C)C)(C)C>[ClH:30].[CH3:1][CH:2]([CH3:29])[CH2:3][CH2:4][NH:5... | 1 |
CN(C)C(N(C)C)N(C)C.C(C)N(CCCOC1=CC=C(C=N1)NC(=O)C1=NNC=2CCCC(C12)=O)CC>>C(C)N(CCCOC1=CC=C(C=N1)NC(=O)C1=NNC=2CCC=3C=NC=NC3C21)CC | 5 |
ClC1C=[CH:38][C:37](F)=[CH:36][C:3]=1[C:4]([NH:6][C:7]1[CH:12]=[CH:11][CH:10]=[C:9]([C:13]2[C:21]([C:22]3[CH:27]=[CH:26][N:25]=[C:24]([NH:28][C:29]4[CH:34]=[CH:33][CH:32]=[C:31]([F:35])[CH:30]=4)[N:23]=3)=[C:16]3[CH:17]=[CH:18][CH:19]=[CH:20][N:15]3[N:14]=2)[CH:8]=1)=[O:5].[CH3:41][N:42]1C(C(Cl)=O)=CC(C)=[N:43]1>>[F:35... | 1 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.BrC=1C(=C(C=CC1)N)CNC>ClCCl.CCN(CC)CC>BrC1=C2CN(C(NC2=CC=C1)=O)C | 3 |
Cl.[NH2:2][C:3]1[C:8]([CH:9]=[N:10]O)=[CH:7][CH:6]=[C:5]([Cl:12])[N:4]=1.N1C=CC=CC=1.FC(F)(F)C(OC(=O)C(F)(F)F)=O>O1CCOCC1.C(OCC)(=O)C.C(=O)(O)[O-].[Na+]>[NH2:2][C:3]1[C:8]([C:9]#[N:10])=[CH:7][CH:6]=[C:5]([Cl:12])[N:4]=1 | 1 |
C(C)(C)(C)OC(=O)N1CCN(CC1)C=1N(C2=CC(=CC=C2C1C#N)C(F)(F)F)CC>ClCCl.C(=O)(C(F)(F)F)O>C(C)N1C(=C(C2=CC=C(C=C12)C(F)(F)F)C#N)N1CCNCC1 | 3 |
[N+](=O)([O-])C=1C=C(C=CC1)N=C=O>>[N+](=O)([O-])C=1C=C(C=CC1)NC(=O)N1CCCC1 | 5 |
[CH:1]([O:4][C:5]1[CH:6]=[CH:7][C:8]([CH:11]=O)=[N:9][CH:10]=1)([CH3:3])[CH3:2].[NH2:13][C:14]1[N:15]=[N:16][C:17]([CH3:20])=[CH:18][CH:19]=1.C([O:23][C:24](=O)[C:25]([OH:38])=[CH:26][C:27]([C:29]1[CH:34]=[CH:33][C:32]([CH:35]([CH3:37])[CH3:36])=[CH:31][CH:30]=1)=[O:28])C>>[OH:38][C:25]1[C:24](=[O:23])[N:13]([C:14]2[N:... | 2 |
[Cl:1][C:2]1[N:3]=[C:4]([N:11]2[CH2:16][CH2:15][O:14][CH2:13][CH2:12]2)[C:5]2[S:10][CH:9]=[CH:8][C:6]=2[N:7]=1.[Li]CCCC.CN(C)[CH:24]=[O:25]>O1CCCC1>[Cl:1][C:2]1[N:3]=[C:4]([N:11]2[CH2:16][CH2:15][O:14][CH2:13][CH2:12]2)[C:5]2[S:10][C:9]([CH:24]=[O:25])=[CH:8][C:6]=2[N:7]=1 | 1 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([NH2:8])=[C:4]([CH:9]2[CH2:18][CH2:17][C:16]3[C:11](=[CH:12][CH:13]=[C:14]([O:19][CH3:20])[CH:15]=3)[CH2:10]2)[CH:3]=1.Cl.[F:22][C:23]1[CH:24]=[C:25]([CH:29]=[CH:30][C:31]=1[O:32][CH2:33][CH2:34][N:35]1[CH2:40][CH2:39][CH2:38][CH2:37][CH2:36]1)[C:26](O)=O.F[C:42]1C=C(C=C[C:49]=1OCCN1CCCCC1... | 2 |
C(C1=CC=CC=C1)SC(CNC(=O)C=1NC2=C(C=CC=C2C1)N(S(=O)(=O)C=1SC=CC1)C)(C=O)C>CO[H].C([O-])([O-])=O.[K+].[K+].Cl.NO>C(C1=CC=CC=C1)SC(CNC(=O)C=1NC2=C(C=CC=C2C1)N(S(=O)(=O)C=1SC=CC1)C)(C=NO)C | 3 |
FC1=C(C=CC=C1)C1=CN(C2=NC=C(C=C21)B2OC(C(O2)(C)C)(C)C)COCC[Si](C)(C)C.NC1=NC=C(C=C1C(C(=O)N(C)C)O)Br>C(O)([O-])=O.[Na+].C1CCOC1.CC#N.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]>NC1=NC=C(C=C1C(C(=O)N(C)C)O)C=1C=C2C(=NC1)N(C=C2... | 3 |
C(C1=CC=CC=C1)OC(=O)C=1N(C(=C(C1C1=CC=C(C=C1)F)C1=CC=C(C=C1)F)C=CC(C[C@H](CC(=O)OC)O)=O)C(C)C>>C(C1=CC=CC=C1)OC(=O)C=1N(C(=C(C1C1=CC=C(C=C1)F)C1=CC=C(C=C1)F)C=C[C@@H](C[C@H](CC(=O)OC)O)O)C(C)C | 5 |
FC=1C=C2C(=NC1)N(C=C2B2OC(C(O2)(C)C)(C)C)S(=O)(=O)C2=CC=C(C=C2)C.ClC1=C(C=C(C(=N1)NC(CC(=O)OCC)C(CC)(C)C)F)C#N>>C(#N)C=1C=C(C(=NC1C1=CN(C2=NC=C(C=C21)F)S(=O)(=O)C2=CC=C(C=C2)C)NC(CC(=O)OCC)C(CC)(C)C)F | 5 |
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