smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
BrC1=CC(=[N+](C=C1OC)[O-])C>>BrC1=CC(=NC=C1OC)C | 5 |
[NH2:1][C:2]1[C:3](=[O:21])[N:4]([CH2:13][C:14]2[CH:19]=[CH:18][C:17]([Cl:20])=[CH:16][CH:15]=2)[C:5](=[O:12])[N:6]([CH2:9][CH2:10][CH3:11])[C:7]=1[NH2:8].[CH3:22][C:23](=O)[C:24](=O)[CH3:25]>O1CCOCC1>[Cl:20][C:17]1[CH:18]=[CH:19][C:14]([CH2:13][N:4]2[C:3](=[O:21])[C:2]3[C:7](=[N:8][C:23]([CH3:22])=[C:24]([CH3:25])[N:1... | 2 |
C(C)OC(C[C@H](C1=CC=CC=C1)NC1=CC(=NC=C1N)C)=O>>C(C)OC(C[C@H](C1=CC=CC=C1)N1C(NC=2C=NC(=CC21)C)=O)=O | 5 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH2:13][CH2:12][N:11]([CH:14]3[CH2:19][CH2:18][CH2:17][CH:16]([C:20](O)=[O:21])[CH2:15]3)[CH2:10][CH2:9]2)=[CH:4][C:3]=1[NH:23][C@@H:24]([C:26]1[CH:31]=[CH:30][C:29]([Cl:32])=[CH:28][C:27]=1[Cl:33])[CH3:25].C[N:35](C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.N>CN(C)C=O>[Cl:... | 2 |
NC=1C=C(C#N)C=CC1NC.COC(C(OCC)OCC)=N>CO[H].C(C)(=O)O>C(C)OC(C1=NC2=C(N1C)C=CC(=C2)C#N)OCC | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[NH:10][NH2:11])[C:5]#[N:6].[OH:12][C:13]1[CH:20]=[C:19]([OH:21])[CH:18]=[CH:17][C:14]=1[CH:15]=O>>[Cl:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[NH:10][N:11]=[CH:15][C:14]1[CH:17]=[CH:18][C:19]([OH:21])=[CH:20][C:13]=1[OH:12])[C:5]#[N:6] | 2 |
[H-].[Na+].[F:3][C:4]1[CH:12]=[CH:11][C:10]([O:13][CH3:14])=[C:9]2[C:5]=1[CH2:6][CH2:7][C:8]2=O.[CH3:16]S(C)=O>[Br-].C[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1>[F:3][C:4]1[CH:12]=[CH:11][C:10]([O:13][CH3:14])=[C:9]2[C:5]=1[CH2:6][CH2:7][C:8]2=[CH2:16] | 1 |
FC=1C=C2CCCC(C2=C(C1)F)=O.C[Si]([O-])(C)C.[Na+]>O.Cl.O1CCOCC1>OC=1C=C(C=C2CCCC(C12)=O)F | 3 |
ClC=1C(=C(C=O)C=CC1)F.ClC1=C(C=C2CC(NC2=C1)=O)F>>ClC1=C(C=C2/C(/C(NC2=C1)=O)=C/C1=C(C(=CC=C1)Cl)F)F | 5 |
BrCCC.[Mg].BrCCBr.[CH3:10][C:11]1[CH:12]=[CH:13][C:14]([C:17]#N)=[N:15][CH:16]=1.[Cl-].[NH4+].[Cl-].[Na+].[O:23]1C[CH2:26][CH2:25][CH2:24]1>>[CH3:10][C:11]1[CH:12]=[CH:13][C:14]([CH2:17][C:24](=[O:23])[CH2:25][CH3:26])=[N:15][CH:16]=1 | 2 |
C(OC([N:8]([C@@H:19]1[CH2:28][C:27]2[CH:26]=[C:25]([O:29][C:30]3[CH:31]=[CH:32][C:33]([O:39][CH3:40])=[C:34]([CH:38]=3)[C:35]([OH:37])=[O:36])[CH:24]=[CH:23][C:22]=2[CH2:21][CH2:20]1)[CH2:9][C@@H:10]([C:12]1[CH:17]=[CH:16][CH:15]=[C:14]([Cl:18])[CH:13]=1)[OH:11])=O)(C)(C)C.Cl>O1CCOCC1>[ClH:18].[Cl:18][C:14]1[CH:13]=[C:... | 2 |
C[O:2][C:3]1[CH:4]=[C:5]([CH2:11][CH2:12][C:13]2[CH:19]=[CH:18][C:16]([NH2:17])=[CH:15][CH:14]=2)[CH:6]=[CH:7][C:8]=1[O:9]C.Br>>[OH:2][C:3]1[CH:4]=[C:5]([CH2:11][CH2:12][C:13]2[CH:14]=[CH:15][C:16]([NH2:17])=[CH:18][CH:19]=2)[CH:6]=[CH:7][C:8]=1[OH:9] | 1 |
[C:1]1(=[O:7])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.CC(C)([O-])C.[K+].O.[C:15]1(C)[CH:20]=CC=[CH:17][CH:16]=1>>[CH2:20]1[C:2]2([CH2:3][CH2:4][CH2:5][CH2:6][C:1]2=[O:7])[CH2:17][CH2:16][CH2:15]1 | 1 |
Cl[C:2]1[N:10]=[C:9]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][N:12]=2)[N:8]=[C:7]2[C:3]=1[N:4]=[CH:5][N:6]2[CH3:17].C(N(CC)C(C)C)(C)C.[CH:27]1([NH2:33])[CH2:32][CH2:31][CH2:30][CH2:29][CH2:28]1>C(#N)C>[CH:27]1([NH:33][C:2]2[N:10]=[C:9]([C:11]3[CH:16]=[CH:15][CH:14]=[CH:13][N:12]=3)[N:8]=[C:7]3[C:3]=2[N:4]=[CH:5][N:6]3[CH3... | 2 |
FC(COS(=O)(=O)C(F)(F)F)(F)F.C(C)N(C(C1=CC(=C(C=C1)I)O)=O)CC>>C(C)N(C(C1=CC(=C(C=C1)I)OCC(F)(F)F)=O)CC | 5 |
N#N.[Br:3][C:4]1[CH:9]=[CH:8][C:7]([CH2:10][CH:11]([NH:15][C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[C:12](O)=O)=[C:6]([F:23])[CH:5]=1.C(N1CCOCC1)C.CN(C(O[N:40]1N=[N:47][C:42]2[CH:43]=[CH:44][CH:45]=[CH:46][C:41]1=2)=[N+](C)C)C.[B-](F)(F)(F)F.C1(N)C(N)=CC=CC=1>C(C#N)(C)=O.CC(=O)OCC.O>[NH:40]1[C:41]2[CH:46... | 2 |
C1(=CC(=CC=C1)[Mg]Cl)C.C1(=CC(=CC=C1)C#N)C>C1CCCO1.Cl>C1(=CC(=CC=C1)C(=O)C=1C=C(C=CC1)C)C | 3 |
[CH3:1][C:2]1([CH3:38])[C:6](=[O:7])[N:5]([C@@H:8]([CH2:18][CH:19]([CH3:21])[CH3:20])[C:9]([NH:11][C@H:12]([CH3:17])[CH2:13][C:14]([OH:16])=[O:15])=[O:10])[C:4](=[O:22])[N:3]1[CH2:23][C:24]1[CH:29]=[CH:28][C:27]([CH:30]=[CH:31][C:32]2[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=2)=[CH:26][CH:25]=1.[H][H]>[Pd].CO>[CH3:38][C:2]... | 1 |
[CH3:1][CH:2]([C:4]1[C:12]([C:13]([CH:15]([NH2:17])[CH3:16])=[O:14])=[C:11]2[N:6]([CH:7]=[CH:8][CH:9]=[CH:10]2)[N:5]=1)[CH3:3].[CH3:18][CH:19]([C:21]1[C:22]([C:30](C(C)C)=[O:31])=[C:23]2[N:28]([N:29]=1)[CH:27]=[CH:26][CH:25]=[CH:24]2)[CH3:20].C(C1C=C2C=CC=CN2N=1)(C)C.CC(C)C=[O:50]>>[CH3:3][CH:2]([C:4]1[C:12]([C:13]([CH... | 1 |
CC1=CC=C(CCl)C=C1.N[C@@H](C[SeH])C(=O)O>>CC1=CC=C(C[Se]CCC(=O)O)C=C1 | 5 |
CI.ClC1=C(C=C2C(=N1)CNC2=O)C>Cl.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].CS(=O)C>ClC1=C(C=C2C(=N1)CN(C2=O)C)C | 3 |
I[C:2]1[CH:3]=[N:4][N:5]([C@H:8]2[CH2:13][CH2:12][C@H:11]([C:14]([O:16][CH2:17][CH3:18])=[O:15])[CH2:10][CH2:9]2)[C:6]=1[CH3:7].C1COCC1.C([Mg]Cl)(C)C.CO[B:31]1[O:35][C:34]([CH3:37])([CH3:36])[C:33]([CH3:39])([CH3:38])[O:32]1>>[CH3:7][C:6]1[N:5]([C@H:8]2[CH2:13][CH2:12][C@H:11]([C:14]([O:16][CH2:17][CH3:18])=[O:15])[CH2... | 1 |
[CH3:1][C:2]1[C:3]([C:15]([C:21]2[CH:31]=[CH:30][C:24]([C:25]([O:27][CH2:28][CH3:29])=[O:26])=[CH:23][CH:22]=2)=[CH:16][Si](C)(C)C)=[CH:4][C:5]2[C:6](=[O:14])[CH2:7][CH2:8][C:9]([CH3:13])([CH3:12])[C:10]=2[CH:11]=1.FC(F)(F)C(O)=O>ClCCl.C1(C)C=CC=CC=1>[CH3:1][C:2]1[C:3]([C:15]([C:21]2[CH:22]=[CH:23][C:24]([C:25]([O:27][... | 1 |
N([O-])=O.[Na+].N[C:6]1[CH:13]=[C:12]([CH3:14])[C:9]([CH:10]=[O:11])=[C:8]([CH3:15])[CH:7]=1.[H+].[B-](F)(F)(F)F.[C:22]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])(=[O:25])[CH:23]=[CH2:24]>O.CC([O-])=O.CC([O-])=O.[Pd+2]>[C:27]([O:26][C:22](=[O:25])[CH:23]=[CH:24][C:6]1[CH:13]=[C:12]([CH3:14])[C:9]([CH:10]=[O:11])=[C:8]([... | 1 |
O[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[N:5]=[CH:4][N:3]=1.O=P(Cl)(Cl)[Cl:14]>>[Cl:14][C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[N:5]=[CH:4][N:3]=1 | 1 |
C(O)C.C(OC(=O)[NH:10][C:11]1[CH:16]=[CH:15][CH:14]=[C:13]([CH:17]([S:26]([C:29]2[CH:34]=[CH:33][C:32]([Cl:35])=[CH:31][CH:30]=2)(=[O:28])=[O:27])[C:18]2[CH:23]=[C:22]([F:24])[CH:21]=[CH:20][C:19]=2[F:25])[N:12]=1)(C)(C)C.Cl>C(OCC)(=O)C>[Cl:35][C:32]1[CH:33]=[CH:34][C:29]([S:26]([CH:17]([C:18]2[CH:23]=[C:22]([F:24])[CH:... | 1 |
Cl.CON.CC1=C(N=CC2=CC=CC=C12)N(S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)CC1=CC=C(C=C1)OC(F)(F)F.[Na+]>>CONC(C1=CC=C(C=C1)S(=O)(=O)N(CC1=CC=C(C=C1)OC(F)(F)F)C=1N=CC2=CC=CC=C2C1C)=O | 5 |
FC(C(=O)N[C@@H](C)C1=CC=C(C=C1)C(CCOC)=O)(F)F>CO[H].[Na+].[BH4-].[Cl-].[NH4+]>FC(C(=O)N[C@@H](C)C1=CC=C(C=C1)C(CCOC)O)(F)F | 3 |
[Cl-].[CH2:2]([NH+:9]1[CH2:13][CH:12](S(C2C=CC=CC=2)=O)[C:11]([C:26]2[CH:31]=[C:30]([Cl:32])[CH:29]=[C:28]([Cl:33])[CH:27]=2)([C:22]([F:25])([F:24])[F:23])[CH2:10]1)[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.C(=O)([O-])[O-].[Na+].[Na+].O>C1(C)C=CC=CC=1>[CH2:2]([N:9]1[CH:13]=[CH:12][C:11]([C:26]2[CH:27]=[C:28]([Cl:33])[CH... | 1 |
[C:1]([C:3]1[N:8]=[C:7]([CH2:9][C:10]([OH:12])=[S:11])[CH:6]=[CH:5][CH:4]=1)#[N:2].S(=O)(=O)(O)O.ClCCl.[CH2:21]=[C:22]([CH3:24])[CH3:23]>O>[C:1]([C:3]1[N:8]=[C:7]([CH2:9][C:10]([O:12][C:22]([CH3:24])([CH3:23])[CH3:21])=[S:11])[CH:6]=[CH:5][CH:4]=1)#[N:2] | 1 |
O1CC(CC1)C=O>CCO[H].Cl.NO>ON=C(C1COCC1)Cl | 3 |
[F:1][CH:2]([F:26])[O:3][C:4]1[CH:5]=[C:6]([C:10]2[CH:11]=[C:12]([CH2:18][N:19]3[CH:23]=[N:22][C:21]([CH2:24]O)=[N:20]3)[CH:13]=[N:14][C:15]=2[O:16][CH3:17])[CH:7]=[CH:8][CH:9]=1.COCCN(S(F)(F)[F:37])CCOC>C(Cl)Cl>[F:1][CH:2]([F:26])[O:3][C:4]1[CH:5]=[C:6]([C:10]2[C:15]([O:16][CH3:17])=[N:14][CH:13]=[C:12]([CH2:18][N:19]... | 1 |
[CH2:1]([O:16][C:17]1[CH:18]=[C:19]([CH:24]=[CH:25][CH:26]=1)[C:20]([O:22]C)=[O:21])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15].[OH-].[Na+].Cl.O>O1CCCC1.C(O)C>[CH2:1]([O:16][C:17]1[CH:18]=[C:19]([CH:24]=[CH:25][CH:26]=1)[C:20]([OH:22])=[O:21])[CH2:2][CH2:3][C... | 1 |
[Cl:1][C:2]1[N:7]=[N:6][C:5]([CH2:8][NH:9][CH2:10][CH:11]([CH3:13])[CH3:12])=[C:4]([CH2:14][CH2:15][CH3:16])[CH:3]=1.[F:17][C:18]1[N:23]=[C:22]([C:24](O)=[O:25])[CH:21]=[CH:20][CH:19]=1.CCN=C=NCCCN(C)C.O>C(Cl)Cl.CN(C1C=CN=CC=1)C>[Cl:1][C:2]1[N:7]=[N:6][C:5]([CH2:8][N:9]([CH2:10][CH:11]([CH3:12])[CH3:13])[C:24]([C:22]2[... | 1 |
C(C#C)N1CCC(CC1)CO.ClC1=CC=C(C=C1)/C(=C/COC1=CC(=C(OCC(=O)OC)C=C1)C)/C1=CC=C(C=C1)I>>ClC1=CC=C(C=C1)/C(=C/COC1=CC(=C(OCC(=O)OC)C=C1)C)/C1=CC=C(C=C1)C#CCN1CCC(CC1)CO | 5 |
[C:1]([C:3]1[CH:26]=[CH:25][C:6]([O:7][CH2:8][CH:9]([NH:20][S:21]([CH3:24])(=[O:23])=[O:22])[CH2:10][N:11]2[CH2:18][CH:17]3[CH2:19][CH:13]([CH2:14][NH:15][CH2:16]3)[CH2:12]2)=[CH:5][CH:4]=1)#[N:2].[CH2:27]([N:29]=[C:30]=[O:31])[CH3:28]>C(Cl)Cl>[C:1]([C:3]1[CH:4]=[CH:5][C:6]([O:7][CH2:8][CH:9]([NH:20][S:21]([CH3:24])(=[... | 2 |
C(C)(C)(C)OC(=O)C1=NC=C(C=C1C)C#N>ClCCl.C(=O)(C(F)(F)F)O>C(#N)C=1C=C(C(=NC1)C(=O)O)C | 3 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][C:9]([C:11]2[N:12]([CH2:16][CH2:17][CH3:18])[CH:13]=[CH:14][N:15]=2)=O)=[CH:4][CH:3]=1.Cl.[NH2:20][OH:21].C(=O)(O)[O-].[Na+]>C(O)C>[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8]/[C:9](/[C:11]2[N:12]([CH2:16][CH2:17][CH3:18])[CH:13]=[CH:14][N:15]=2)=[N:20]\[OH:21])=[CH:4][CH:3]=1.[NH2:1]... | 1 |
FC1=C(C=CC=C1O)B(O)O.BrC1=NC(=CC=C1)OC1=CC(=C(C=C1)F)C(F)F>O.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].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]>FC(C=1C=C(OC2=CC=CC(=N2)C=2C(=C(C=CC2)O)F)C=CC1F)F | 3 |
[OH:1][C@@H:2]([CH2:16][CH3:17])[CH2:3][O:4][C:5]1[CH:6]=[C:7]2[C:12](=[CH:13][CH:14]=1)[C:11](=[O:15])O[CH:9]=[CH:8]2.[CH3:18][O:19][C:20]1[CH:21]=[C:22]([NH2:34])[CH:23]=[CH:24][C:25]=1[O:26][CH2:27][CH2:28][N:29]1[CH2:33][CH2:32][CH2:31][CH2:30]1>>[OH:1][C@@H:2]([CH2:16][CH3:17])[CH2:3][O:4][C:5]1[CH:6]=[C:7]2[C:12]... | 2 |
C1(=CC=CC=C1)CC(=O)OC>CC#N.O.Cl.[O-]S(=O)(=O)C(F)(F)F.[Sc+3].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.C(C)(=O)OC[C@H]([C@H]([C@H](CN1C2=C(N=C3C(NC(N=C13)=O)=O)C=C(C(=C2)C)C)OC(C)=O)OC(C)=O)OC(C)=O>C1(=CC=CC=C1)C(C(=O)OC)=O | 3 |
[C:1]([C:3]1[CH:8]=[CH:7][N:6]=[C:5]([N:9]2[CH2:14][CH2:13][N:12]([C:15]([O:17][CH2:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:16])[CH2:11][CH2:10]2)[CH:4]=1)#[N:2].C[Si]([N:27]=[N+:28]=[N-:29])(C)C.C([Sn](=O)CCCC)CCC>C1(C)C=CC=CC=1>[NH:27]1[C:1]([C:3]2[CH:8]=[CH:7][N:6]=[C:5]([N:9]3[CH2:10][CH2:11][N:12]([C:15]([O:17][... | 1 |
CN1N=C(C(=C1)S(=O)(=O)N)C.[Si](C)(C)(C(C)(C)C)C1=NN(C=C1)C1=CC=C(C(=N1)Cl)C(=O)O>C1CCCO1.C(=O)(C=1NC=CN1)C=1NC=CN1.C1CCC2=NCCCN2CC1>[Si](C)(C)(C(C)(C)C)C1=NN(C=C1)C1=CC=C(C(=N1)Cl)C(=O)NS(=O)(=O)C=1C(=NN(C1)C)C | 3 |
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCC1=C(C=CC=C1)CO>c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.C(C)(=O)OCC.C(Br)(Br)(Br)Br>BrCC1=C(CO[Si](C2=CC=CC=C2)(C2=CC=CC=C2)C(C)(C)C)C=CC=C1 | 3 |
CN(C1=CC(=NC(=C1)CO)C1=NC=CC(=C1)N(C)C)C>ClCCl.ClS(Cl)=O>ClCC1=CC(=CC(=N1)C1=NC=CC(=C1)N(C)C)N(C)C | 3 |
[C:1]([C:5]1[CH:14]=[CH:13][C:12]2[CH2:11][CH2:10][CH2:9][CH:8]([C:15]([NH2:17])=O)[C:7]=2[N:6]=1)([CH3:4])([CH3:3])[CH3:2].P12(SP3(SP(SP(S3)(S1)=S)(=S)S2)=S)=[S:19]>>[C:1]([C:5]1[CH:14]=[CH:13][C:12]2[CH2:11][CH2:10][CH2:9][CH:8]([C:15](=[S:19])[NH2:17])[C:7]=2[N:6]=1)([CH3:4])([CH3:3])[CH3:2] | 1 |
CC=1C(=NON1)C(=O)O.N[C@H](C=1N=C2N(N=CC(=C2)C2(CCOCC2)C(=O)NCC(C)(F)F)C1)C1CCC(CC1)(F)F>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>FC1(CCC(CC1)[C@H](NC(=O)C1=NON=C1C)C=1N=C2N(N=CC(=C2)C2(CCOCC2)C(NCC(C)(F)F)=O)C1)F | 3 |
[O:1]([CH2:9][CH2:10]/[CH:11]=[CH:12]/B1OC(C)(C)C(C)(C)O1)[Si:2]([C:5]([CH3:8])([CH3:7])[CH3:6])([CH3:4])[CH3:3].O1C=CC=C1P(C1OC=CC=1)C1OC=CC=1.C(=O)([O-])[O-].[Cs+].[Cs+].Br[C:45]1[CH:46]=[CH:47][C:48](/[C:53](/[C:72]2[CH:77]=[CH:76][C:75]([C:78]([CH3:81])([CH3:80])[CH3:79])=[CH:74][CH:73]=2)=[CH:54]/[C@@H:55]2[N:59](... | 1 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.NC=1C=C(C=NC1)Br.CC1=NC=CC(=C1)C=1C=CC2=C(N[C@H]3CCN2C3)N1>C1CCCO1.C(C)(C)N(C(C)C)CC>BrC=1C=C(C=NC1)NC(=O)N1C2=C(N3CC[C@H]1C3)C=CC(=N2)C2=CC(=NC=C2)C | 3 |
OC1=C(C=CC=C1OC)CC(=O)OC.ClC=1C=CC(=NC1)N1N=C(C(=C1)CCCO)C(CC)CC>C1CCCO1.C(CCC)P(CCCC)CCCC.C1CCN(CC1)C(=O)N=NC(=O)N2CCCCC2>ClC=1C=CC(=NC1)N1N=C(C(=C1)CCCOC1=C(C=CC=C1OC)CC(=O)O)C(CC)CC | 3 |
COC=1C=C(C(=O)O)C=CC1OC.NCCN1C(=CC=C1C)C>C(=O)(C=1NC=CN1)C=1NC=CN1.O1CCOCC1>CC=1N(C(=CC1)C)CCNC(C1=CC(=C(C=C1)OC)OC)=O | 3 |
CN(C)C=O.[NH:6]1[CH2:11][CH2:10][O:9][CH2:8][CH2:7]1.C(=O)([O-])N.[CH2:16]([NH:18][C:19]([N:21]1[C:29]2[C:24](=[CH:25][C:26]([O:30][C:31]3[CH:36]=[CH:35][N:34]=[C:33]([NH:37][C:38](N4CCC(N5CCCC5)CC4)=[O:39])[CH:32]=3)=[CH:27][CH:28]=2)[CH:23]=[CH:22]1)=[O:20])[CH3:17]>C(OCC)C>[CH2:16]([NH:18][C:19]([N:21]1[C:29]2[C:24]... | 1 |
[NH2:1][C:2]1[CH:47]=[C:46]([N:48]2[CH2:53][CH2:52][N:51]([CH3:54])[CH2:50][CH2:49]2)[CH:45]=[CH:44][C:3]=1[C:4]([NH:6][C:7]1[C:15]2[C:10](=[CH:11][CH:12]=[C:13]([CH2:16][C:17]3[CH:22]=[C:21]([F:23])[CH:20]=[C:19]([F:24])[CH:18]=3)[CH:14]=2)[N:9](C(C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[N:8]=1)=[O:5].[CH3:55][S:56]([Cl:... | 1 |
BrCBr.[CH2:4]([Li])[CH2:5][CH2:6]C.[Li][N:10]1[C:15](C)(C)[CH2:14][CH2:13][CH2:12][C:11]1(C)C.[CH3:20]C1(C)CCCC(C)(C)N1.CN1CC2C[C:33]([C:40]([O:42][CH2:43][CH3:44])=[O:41])(CCC2)C1.Cl.C(Cl)(=O)C>O1CCCC1.CCCCCC.C(O)C>[CH2:43]([O:42][C:40](=[O:41])[CH2:33][C:14]12[CH2:13][CH:12]([CH2:6][CH2:5][CH2:4]1)[CH2:11][N:10]([CH3... | 1 |
Br[C:2]1[CH:7]=[C:6]([F:8])[C:5]([NH:9][C:10]2[N:14]([CH3:15])[N:13]=[C:12]([CH3:16])[C:11]=2[C:17]2[CH:22]=[CH:21][C:20]([F:23])=[CH:19][C:18]=2[F:24])=[C:4]([F:25])[CH:3]=1.[C:26](=O)([O-])[O-].[Cs+].[Cs+].C(Cl)Cl.CB1OB(C)OB(C)O1>O1CCOCC1.O.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>[F:8][C:6]1[CH:7]=[C:2]([CH3:26])[CH:3]=[C... | 2 |
[C-]#N.[Zn+2].[C-]#N.BrC1=CC2=C(N(C=N2)CC2=CC3=C(N=C(O3)N[C@H]3[C@@H](CCCC3)O)C=C2)C=C1>>O[C@H]1[C@@H](CCCC1)NC=1OC2=C(N1)C=CC(=C2)CN2C=NC1=C2C=CC(=C1)C#N | 5 |
C(C1=CC=CC=C1)(=O)O[C@H]1[C@@H](O[C@@H]([C@H]1OC(C1=CC=CC=C1)=O)C(=O)NCC)N1C2=NC(=NC(=C2N=C1)Cl)I.ClC1=CC=C(C=C1)C(CN)C1=CC=C(C=C1)Cl>>C(C1=CC=CC=C1)(=O)O[C@H]1[C@@H](O[C@@H]([C@H]1OC(C1=CC=CC=C1)=O)C(=O)NCC)N1C2=NC(=NC(=C2N=C1)NCC(C1=CC=C(C=C1)Cl)C1=CC=C(C=C1)Cl)I | 5 |
N1CCC2(CC1)C(NC1=CC=CC=C12)=O.ClC1=NC=NC=2N(C(C(=NC12)OC)=O)C>>COC1=NC=2C(=NC=NC2N(C1=O)C)N1CCC2(CC1)C(NC1=CC=CC=C12)=O | 5 |
C[N:2]([CH3:12])/[CH:3]=[C:4](\[N+:10]#[C-:11])/[C:5]([O:7][CH2:8][CH3:9])=[O:6].[CH2:13](N)[CH:14]=C>CCO>[CH2:12]([N:2]1[CH:3]=[C:4]([C:5]([O:7][CH2:8][CH3:9])=[O:6])[N:10]=[CH:11]1)[CH:13]=[CH2:14] | 2 |
BrCC#N.FC1=C2NCC(NC2=CC=C1)=O>C1CCCO1.[H-].[Na+]>FC1=C2NCC(N(C2=CC=C1)CC#N)=O | 3 |
CI.FC(C1CCN(CC1)C(=O)OC(C)(C)C)S(=O)(=O)C=1C(=NN(C1)C)C(F)(F)F>CC(C)(C)[O-].[K+].C1CCCO1>FC(C)(S(=O)(=O)C=1C(=NN(C1)C)C(F)(F)F)C1CCN(CC1)C(=O)OC(C)(C)C | 3 |
ClC=1C=CC(=C(C1)OC)[N+](=O)[O-].C(C)(C)N1CCNCC1>O1CCOCC1.[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.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+]>CC(C)N1CCN(CC1)C1=CC(=C(C=C1)[N+](=O)[O-])... | 3 |
COC1=NC(=CC(=N1)C(N)=NO)C(F)(F)F>>COC1=NC(=CC(=N1)C=1NOC(N1)=O)C(F)(F)F | 5 |
C(C1=CC=CC=C1)OC(CC=1C=CC2=C(C=C(O2)C=2C(=NC=CC2)C(=O)OC)C1)=O>>COC(=O)C1=NC=CC=C1C=1OC2=C(C1)C=C(C=C2)CC(=O)O | 5 |
C(C1=CC=CC=C1)OC(=O)NC1(CCCCC1)CO>CO[H].[HH].[Pd]>NC1(CCCCC1)CO | 3 |
FC(C=1C=C(C=C(C1)C(F)(F)F)[C@@H]1[C@@H](N(C(O1)=O)CC1=NC(=NC=C1C=1C=CC(=C(C1)C1=C(C=C(C=C1)C(=O)OC)C)F)SC)C)(F)F>>FC(C=1C=C(C=C(C1)C(F)(F)F)[C@@H]1[C@@H](N(C(O1)=O)CC1=NC(=NC=C1C=1C=CC(=C(C1)C1=C(C=C(C=C1)C(=O)O)C)F)S(=O)(=O)C)C)(F)F | 5 |
ClC=1C=C(C=CC1OC(C)C)C1=NC(=NO1)C1=C2C=NNC2=CC=C1.BrCC(C(=O)OC)C>>ClC=1C=C(C=CC1OC(C)C)C1=NC(=NO1)C1=C2C=NN(C2=CC=C1)CC(C(=O)OC)C | 5 |
C([O:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[C:15]1[CH:19]=[C:18]([NH:20]/[C:21](/[NH:35][C:36]([CH3:39])([CH3:38])[CH3:37])=[N:22]\[C:23](=[O:34])[C:24]2[CH:29]=[CH:28][C:27]([C:30]([F:33])([F:32])[F:31])=[CH:26][CH:25]=2)[NH:17][N:16]=1)C1C=CC=CC=1.[H][H]>CO.[Pd]>[C:36]([NH:35]/[C:21](/[NH:20][C:18]1[NH:17][N:... | 1 |
[CH:1]([C:4]1[N:5]([CH3:20])[C:6]2[C:11]([C:12]=1[C:13]1[CH:18]=[CH:17][N:16]=[CH:15][CH:14]=1)=[CH:10][C:9]([OH:19])=[CH:8][CH:7]=2)([CH3:3])[CH3:2].[CH2:21]([O:23][C:24](=[O:29])[C:25](Br)([CH3:27])[CH3:26])[CH3:22]>>[CH2:21]([O:23][C:24](=[O:29])[C:25]([O:19][C:9]1[CH:10]=[C:11]2[C:6](=[CH:7][CH:8]=1)[N:5]([CH3:20])... | 1 |
O=C1OCC2=C1C=CC(=C2)CC=O.COC1=C(C#N)C=CC(=C1)CCN1C(CNCC1)C(F)(F)F>CO[H].C(#N)[BH3-].[Na+]>COC1=C(C#N)C=CC(=C1)CCN1C(CN(CC1)CCC1=CC2=C(C(OC2)=O)C=C1)C(F)(F)F | 3 |
COC(C[C@@H]1COC2=C1C=CC(=C2)O)=O.ClC=1C(=C(C(=C(C1OCCCS(=O)(=O)C)Cl)C)C1=CC(=CC=C1)CO)C>>COC(C[C@@H]1COC2=C1C=CC(=C2)OCC=2C=C(C=CC2)C2=C(C(=C(C(=C2C)Cl)OCCCS(=O)(=O)C)Cl)C)=O | 5 |
C(C1=CN=CC=C1)(=O)O.C(C)OC(=O)C=1C=CC(=NC1)N1C(=NC=2C=NC=CC21)C.CC=1N(C2=C(C=NC=C2)N1)C1=CC=C(C(=O)O)C=C1.CC=1N(C2=C(C=NC=C2)N1)C1=CC=C(C=N1)C(=O)O>>CC=1N(C2=C(C=NC=C2)N1)C1=NC=C(C=C1)C(=O)CC(=O)OCC | 3 |
NC=1C=NC=CC1Cl.C1(CCCC1)OC=1C=C(C(=O)Cl)C=CC1OC>C(C)OCC.c1ccncc1>ClC1=C(C=NC=C1)NC(C1=CC(=C(C=C1)OC)OC1CCCC1)=O | 3 |
ClC1=CC=C2C(=N1)C=C(N2CCCCF)C(=O)OC>>ClC1=CC=C2C(=N1)C=C(N2CCCCF)CO | 5 |
[CH:1]1([NH:4][C:5]([C:7]2[C:8](=[O:25])[N:9]([C:15]3[CH:20]=[CH:19][CH:18]=[C:17]([C:21]([F:24])([F:23])[F:22])[CH:16]=3)[C:10]([CH3:14])=[C:11](I)[CH:12]=2)=[O:6])[CH2:3][CH2:2]1.C([Sn](CCCC)(CCCC)[S:31][C:32]1[CH:37]=[CH:36][C:35]([O:38][CH3:39])=[CH:34][CH:33]=1)CCC.CN1C(=[O:54])CCC1.OO>C(O)(=O)C.O.[Pd].C(P(C(C)(C)... | 2 |
C(C)(C)(C)OC(=O)N1CCC2(CNC(O2)=O)CC1.BrCC1=C(C2=CC=CC=C2C=C1)O>>C(C)(C)(C)OC(=O)N1CCC2(CN(C(O2)=O)CC2=CC3=CC=CC=C3C=C2)CC1 | 5 |
N1=NN(C2=NC=CC=C21)OC(=O)C2=C(NC(=C2C)\C=C\2/C(NC1=CC=C(C=C21)S(=O)(=O)CC2=C(C=CC=C2Cl)Cl)=O)C.NCCN1CCN(CC1)C(C)=O>CN(C(C)=O)C>C(C)(=O)N1CCN(CC1)CCNC(=O)C1=C(NC(=C1C)\C=C\1/C(NC2=CC=C(C=C12)S(=O)(=O)CC1=C(C=CC=C1Cl)Cl)=O)C | 3 |
C(CC)O.N1C[C@H](CC1)O>ClCCl.c1ccncc1.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>S(=O)(=O)(C1=CC=C(C)C=C1)N1C[C@H](CC1)OS(=O)(=O)C1=CC=C(C)C=C1 | 3 |
Br[C:2]1[CH:7]=[CH:6][C:5]([CH2:8][O:9][CH2:10][CH2:11][C:12]2[CH:13]=[C:14]([NH:18][S:19]([C:22]([F:25])([F:24])[F:23])(=[O:21])=[O:20])[CH:15]=[CH:16][CH:17]=2)=[C:4]([Cl:26])[CH:3]=1.[Cl:27][C:28]1[CH:33]=[CH:32][C:31](B(O)O)=[CH:30][CH:29]=1>>[Cl:26][C:4]1[CH:3]=[C:2]([C:31]2[CH:32]=[CH:33][C:28]([Cl:27])=[CH:29][C... | 1 |
[N+:1]([C:4]1[CH:9]=[C:8]([C:10]([F:13])([F:12])[F:11])[CH:7]=[CH:6][C:5]=1[CH2:14][C:15]([O:17]C)=O)([O-])=O>[Pd]>[F:11][C:10]([F:13])([F:12])[C:8]1[CH:9]=[C:4]2[C:5]([CH2:14][C:15](=[O:17])[NH:1]2)=[CH:6][CH:7]=1 | 1 |
NC1=C(C(=O)NCC=2C=NC=CC2)C=C(C=C1)Br>O.C(Cl)(Cl)(Cl)[H].Cl.[OH-].[Na+].N(=O)[O-].[Na+]>BrC=1C=CC2=C(C(N(N=N2)CC=2C=NC=CC2)=O)C1 | 3 |
N[C:2]1[CH:3]=[CH:4][C:5]([O:9][CH3:10])=[C:6]([OH:8])[CH:7]=1.[CH2:11]=O.[C:13]([BH3-])#[N:14].[Na+].[H-]>C(O)C.C(O)(=O)C>[CH3:11][N:14]([CH3:13])[C:2]1[CH:3]=[CH:4][C:5]([O:9][CH3:10])=[C:6]([OH:8])[CH:7]=1 | 1 |
[CH3:1][C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[CH:4][C:3]=1[O:9][CH3:10].[N:11]([O-])=O.[Na+].Cl>O>[CH3:1][C:2]1[CH:8]=[CH:7][C:5]([NH:6][NH2:11])=[CH:4][C:3]=1[O:9][CH3:10] | 1 |
O(C1=CC=CC=C1)C1=C(C(=O)O)C(=CC=C1)OC1=CC=CC=C1>ClS(Cl)=O.C(C(=O)Cl)(=O)Cl>O(C1=CC=CC=C1)C1=C(C(=O)Cl)C(=CC=C1)OC1=CC=CC=C1 | 3 |
NC1=C2C(=NC=N1)N(N=C2C2=CC=C(C=C2)OC2=CC(=CC=C2)F)[C@H]2CN(CCC2)C(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>FC=1C=C(OC2=CC=C(C=C2)C2=NN(C3=NC=NC(=C32)N)[C@H]3CNCCC3)C=CC1 | 3 |
[OH:1][CH2:2][CH2:3][N:4]1[C:16]2[C:15]3[N:14]=[C:13]([NH:17][C:18]4[CH:23]=[C:22]([N:24]5[CH2:29][CH2:28][N:27]([CH3:30])[CH2:26][CH2:25]5)[CH:21]=[CH:20][C:19]=4[O:31][C:32]([F:35])([F:34])[F:33])[N:12]=[CH:11][C:10]=3[CH2:9][CH2:8][C:7]=2[C:6]([C:36]([O-:38])=O)=[N:5]1.[K+].[N:40]1(C([O-])=O)C2C=CC=CC=2N=N1.[NH4+]>C... | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)C=1N(C(=C(N1)Br)Br)CCOC1OCCCC1>C1CCCO1.C(CCC)[Li]>C(C)(C)(C)OC(=O)N1CCC(CC1)C=1N(C=C(N1)Br)CCOC1OCCCC1 | 3 |
C(=O)C1=C(C=CC=C1)SC1=C(C=C(C=C1)C)CNS(=O)C(C)(C)C>Cl.O1CCOCC1>C(C)C1=C(C=CC(=C1)C)SC1=C(C=O)C=CC=C1 | 3 |
Br[C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[C:4]([CH3:10])[CH:3]=1.C([O-])([O-])=O.[Na+].[Na+].[CH3:17][O:18][C:19]1[CH:24]=[CH:23][C:22](B(O)O)=[CH:21][CH:20]=1>C1C=CC=CC=1.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)(C2... | 1 |
[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH2:3][C:2]1=[O:10].[C:11]([N:19]=[C:20]=[O:21])(=[O:18])[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1>C1(C)C=CC=CC=1>[C:11]([NH:19][C:20]([N:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH2:3][C:2]1=[O:10])=[O:21])(=[O:18])[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1 | 1 |
ClC=1C=C(N)C=CC1F.CS(=O)(=O)N>O.ClCCl.c1ccncc1.CS(=O)(=O)Cl>ClC=1C=C(C=CC1F)NS(=O)(=O)C | 3 |
[N+:1]([C:4]1[N:5]=[C:6]2[N:11]([CH:12]=1)[CH2:10][CH:9]([O:13][CH2:14][C:15]1[CH:31]=[CH:30][C:18]([O:19][CH2:20][C:21](N3CCC(=O)CC3)=[O:22])=[CH:17][CH:16]=1)[CH2:8][O:7]2)([O-:3])=[O:2].C([O:36]C(=O)C)(C)(C)C>C(O)(C(F)(F)F)=O.ClCCl>[N+:1]([C:4]1[N:5]=[C:6]2[N:11]([CH:12]=1)[CH2:10][CH:9]([O:13][CH2:14][C:15]1[CH:16]... | 2 |
BrC=1C=C(N)C=C(C1)C>O.ClS(Cl)=O.Cl.N(=O)[O-].[Na+].Cl[Cu]>BrC=1C=C(C=C(C1)C)S(=O)(=O)Cl | 3 |
BrC1=CC=C(C(=O)NCC#C)C=C1>ClCCCl.[Fe](Cl)(Cl)Cl>BrC1=CC=C(C=C1)C=1OC(=CN1)C | 3 |
BrC1=CC2=C(OCC(N2)=O)C(=C1)Cl>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.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]>ClC1=CC(=CC=2NC(COC21)=O)B2OC(C(O2)(C)C)(C)C | 3 |
Cl.O1CCOCC1.[Br:8][C:9]1[CH:18]=[C:17]2[C:12]([C:13](Cl)=[N:14][CH:15]=[N:16]2)=[CH:11][CH:10]=1.[NH2:20][C:21]1[CH:25]=[C:24]([CH2:26][C:27]([OH:29])=O)[NH:23][N:22]=1.CCN=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1.[F:51][C:52]1[CH:53]=[C:54]([NH2:58])[CH:55]=[CH:56][CH:57]=1.CCN(C(C)C)C(C)C>CC(N(C)C)=O.C(OCC)(=O)C.O>[Br:8][C:9... | 2 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([CH3:8])[C:3]=1[NH:9][C:10](=[O:16])/[CH:11]=[CH:12]/OCC.C1C(=O)N(Br)C(=O)C1.[Cl:25][C:26]1[N:31]=[C:30]([CH3:32])[N:29]=[C:28]([NH:33][C:34]([NH2:36])=[S:35])[CH:27]=1>C1COCC1.O>[Cl:25][C:26]1[N:31]=[C:30]([CH3:32])[N:29]=[C:28]([NH:33][C:34]2[S:35][C:11]([C:10]([NH:9][C:3]3[C:4](... | 1 |
[ClH:1].[CH:2]([C@@H:5]1[CH2:10][CH2:9][C@H:8]([N:11]2[CH2:27][CH2:26][C:14]3([N:18]([C:19]4[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=4)[CH2:17][CH2:16][CH:15]3[OH:25])[CH2:13][CH2:12]2)[CH2:7][CH2:6]1)([CH3:4])[CH3:3].[H-].[Na+].[CH3:30]OS(OC)(=O)=O>CN(C)C=O>[ClH:1].[CH:2]([C@@H:5]1[CH2:10][CH2:9][C@H:8]([N:11]2[CH2:12][C... | 1 |
Cl[C:2]1[CH:7]=[C:6]([C:8]2[NH:17][C:11]3[N:12]=[CH:13][NH:14][C:15](=[O:16])[C:10]=3[CH:9]=2)[CH:5]=[CH:4][N:3]=1.[CH:18]1(/[CH:24]=[CH:25]/B2OC(C)(C)C(C)(C)O2)[CH2:23][CH2:22][CH2:21][CH2:20][CH2:19]1>>[CH:18]1(/[CH:24]=[CH:25]/[C:2]2[CH:7]=[C:6]([C:8]3[NH:17][C:11]4[N:12]=[CH:13][NH:14][C:15](=[O:16])[C:10]=4[CH:9]=... | 2 |
C(O)(=O)/C=C/C(O)=O.[NH2:9][C@H:10]([C:15]([O-:17])=[O:16])[CH2:11][C:12]([O-:14])=[O:13].[NH4+].[NH4+]>O>[NH2:9][C@H:10]([C:15]([OH:17])=[O:16])[CH2:11][C:12]([OH:14])=[O:13] | 1 |
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