smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[C-:1]#[N:2].[Na+].[Cl:4][C:5]1[CH:10]=[C:9]([O:11][CH3:12])[CH:8]=[C:7]([CH2:13]Cl)[CH:6]=1>CN(C=O)C>[Cl:4][C:5]1[CH:6]=[C:7]([CH2:13][C:1]#[N:2])[CH:8]=[C:9]([O:11][CH3:12])[CH:10]=1 | 2 |
C[C@@H](C(=O)O)CC.NC1=NC=NN2C1=CC=C2[C@@H]2O[C@]([C@@H]1[C@H]2OC(O1)(C)C)(C#N)CO>CC#N.C1(=CC=NC=C1)N(C)C.Cl.CN(CCCN=C=NCC)C>C[C@@H](C(=O)OC[C@]1(O[C@H]([C@@H]2OC(O[C@@H]21)(C)C)C2=CC=C1C(=NC=NN12)N)C#N)CC | 3 |
C(C1=CC=CC=C1)OC1=C2C=CN=CC2=C(C=C1)C1=NN(C2=C1CN(CC2)C(C)=O)C2CCOCC2>CO[H].[HH].C(C)(=O)O.[OH-].[Pd+2].[OH-]>OC1=C2C=CN=CC2=C(C=C1)C1=NN(C2=C1CN(CC2)C(C)=O)C2CCOCC2 | 3 |
[Cl:1][C:2]1[CH:8]=[CH:7][C:6]([Cl:9])=[CH:5][C:3]=1[NH2:4].Br[C:11]#[N:12]>O>[Cl:1][C:2]1[CH:8]=[CH:7][C:6]([Cl:9])=[CH:5][C:3]=1[NH:4][C:11]#[N:12] | 1 |
[CH3:1][C:2]([C:5]1[CH:6]=[CH:7][C:8]([NH2:11])=[N:9][CH:10]=1)=[CH:3][CH3:4]>C(O)C.[Pd]>[CH:2]([C:5]1[CH:6]=[CH:7][C:8]([NH2:11])=[N:9][CH:10]=1)([CH2:3][CH3:4])[CH3:1] | 1 |
[NH2:1][C:2]1[N:7]=[C:6]([NH:8][CH2:9][CH2:10][NH:11][C:12]2[CH:17]=[C:16](Cl)[N:15]=[C:14]([NH2:19])[N:13]=2)[CH:5]=[CH:4][N:3]=1.[Cl:20][C:21]1[CH:22]=[C:23](B(O)O)[CH:24]=[CH:25][CH:26]=1.C(=O)([O-])[O-].[K+].[K+].O1CCOCC1>C(Cl)Cl.O>[NH2:1][C:2]1[N:7]=[C:6]([NH:8][CH2:9][CH2:10][NH:11][C:12]2[CH:17]=[C:16]([C:25]3[CH:24]=[CH:23][CH:22]=[C:21]([Cl:20])[CH:26]=3)[N:15]=[C:14]([NH2:19])[N:13]=2)[CH:5]=[CH:4][N:3]=1 | 1 |
ClC(C(=O)OCC)=O.Cl.ClC1=CC=C2NC=C(CCN)C2=C1>ClCCl.CCN(CC)CC.[OH-].[Na+]>ClC=1C=C2C(=CNC2=CC1)CCNC(C(=O)O)=O | 3 |
[Si](C)(C)(C(C)(C)C)OC=1C=C2C=NNC2=CC1>CS(=O)C.II.[OH-].[K+]>[Si](C)(C)(C(C)(C)C)OC=1C=C2C(=NNC2=CC1)I | 3 |
N1=C(C=CC2=CN=CC=C12)NC(=O)C1=CSC2=C1N=C(N=C2)N[C@H]2[C@H](CCCC2)NC(OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>N1=C(C=CC2=CN=CC=C12)NC(=O)C1=CSC2=C1N=C(N=C2)N[C@H]2[C@H](CCCC2)N | 3 |
BrC=1C=C(C#N)C=CC1.BrC1(CC=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1>>BrC=1C=C(C=CC1)C(=O)C=1C=C(C=C(C1)C1=CC=CC=C1)C1=CC=CC=C1 | 5 |
COC(CCN1CCN(CC1)C1=CC=C(C=C1)NC1=CC=CC=C1)=O>>[Na+].C1(=CC=CC=C1)NC1=CC=C(C=C1)N1CCN(CC1)CCC(=O)[O-] | 5 |
Cl.[CH3:2]N(C)CCCN=C=NCC.[C:13]([O:17][C:18]([N:20]1[CH2:25][CH2:24][N:23]([C:26]([O:28][CH2:29][C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=2)=[O:27])[CH2:22][C@H:21]1[C:36]([OH:38])=O)=[O:19])([CH3:16])([CH3:15])[CH3:14].[OH:39][N:40]1[C:44]2C=CC=CC=2N=N1.C(N(CC)C(C)C)(C)C>ClCCl>[C:13]([O:17][C:18]([N:20]1[CH2:25][CH2:24][N:23]([C:26]([O:28][CH2:29][C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=2)=[O:27])[CH2:22][CH:21]1[C:36](=[O:38])[N:40]([O:39][CH3:2])[CH3:44])=[O:19])([CH3:16])([CH3:15])[CH3:14] | 1 |
[OH:1][CH2:2][C@@H:3]([N:32]([CH2:44][CH:45]([CH3:47])[CH3:46])[S:33]([C:36]1[CH:41]=[CH:40][C:39]([O:42][CH3:43])=[CH:38][CH:37]=1)(=[O:35])=[O:34])[CH2:4][CH2:5][CH2:6][CH2:7][NH:8][C:9]([C@@H:11]([NH:23][C:24]([N:26]1[CH2:31][CH2:30][O:29][CH2:28][CH2:27]1)=[O:25])[CH2:12][C:13]1[CH:22]=[CH:21][C:20]2[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=2)[CH:14]=1)=[O:10].N1(C(N[C@@H](CC2C3C(=CC=CC=3)C=CC=2)C(O)=O)=O)CCOCC1>>[OH:1][CH2:2][C@@H:3]([N:32]([CH2:44][CH:45]([CH3:46])[CH3:47])[S:33]([C:36]1[CH:37]=[CH:38][C:39]([O:42][CH3:43])=[CH:40][CH:41]=1)(=[O:35])=[O:34])[CH2:4][CH2:5][CH2:6][CH2:7][NH:8][C:9]([C@@H:11]([NH:23][C:24]([N:26]1[CH2:27][CH2:28][O:29][CH2:30][CH2:31]1)=[O:25])[CH2:12][C:13]1[C:14]2[C:19](=[CH:18][CH:17]=[CH:16][CH:15]=2)[CH:20]=[CH:21][CH:22]=1)=[O:10] | 1 |
FC1=C(C=CC=C1F)Br.COC(C1=CC(=CC(=C1)B1OC(C(O1)(C)C)(C)C)C1=NC=C(C=C1)C)=O>N(C)(C)C=O.O.[I-].C(CCC)[N+](CCCC)(CCCC)CCCC.C(=O)([O-])[O-].[Cs+].[Cs+]>FC1=C(C=CC=C1F)C1=CC(=CC(=C1)C1=NC=C(C=C1)C)C(=O)OC | 3 |
FC(C=1C=C(CN2N=NC(=C2C2=CC=NC=C2)C(=O)C=2C(=NOC2C2=C(C=CC=C2)Cl)CO)C=C(C1)C(F)(F)F)(F)F>>NCC1=NOC(=C1C(=O)C=1N=NN(C1C1=CC=NC=C1)CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=C(C=CC=C1)Cl | 5 |
[CH2:1]([OH:7])[CH2:2][O:3][CH2:4][CH2:5][OH:6].[Cl:8][CH2:9][C:10]([OH:12])=O>C1(C)C=CC=CC=1.C1(C)C=CC(S(O)(=O)=O)=CC=1>[Cl:8][CH2:9][C:10]([O:7][CH2:1][CH2:2][O:3][CH2:4][CH2:5][O:6][C:10](=[O:12])[CH2:9][Cl:8])=[O:12] | 1 |
BrC1=CC=C(C=C1)[C@]12[C@](C3=C(C=NC=C3OC)O1)([C@@H]([C@@H]([C@H]2C2=CC=CC=C2)C(=O)NCC=2C=NC=CC2)O)O>C1CCCO1.C(C)(=O)O.CSC.B(F)(F)F>BrC1=CC=C(C=C1)[C@]12[C@](C3=C(C=NC=C3OC)O1)([C@@H]([C@@H]([C@H]2C2=CC=CC=C2)CNCC=2C=NC=CC2)O)O | 3 |
[F:1][C:2]1[CH:33]=[CH:32][C:5]([NH:6][C:7]([NH:9][C:10]2[CH:31]=[CH:30][C:13]([O:14][C:15]3[C:24]4[C:19](=[CH:20][C:21]([O:28][CH3:29])=[C:22]([C:25](O)=[O:26])[CH:23]=4)[N:18]=[CH:17][CH:16]=3)=[CH:12][CH:11]=2)=[O:8])=[CH:4][CH:3]=1.Cl.C(N=C=N[CH2:40][CH2:41][CH2:42][N:43](CC)CC)C.O.ON1C2C=CC=CC=2N=N1.C1(N)CC1>CN(C)C=O.O.C(OCC)(=O)C.C(N(CC)CC)C>[CH:42]1([NH:43][C:25]([C:22]2[CH:23]=[C:24]3[C:19](=[CH:20][C:21]=2[O:28][CH3:29])[N:18]=[CH:17][CH:16]=[C:15]3[O:14][C:13]2[CH:30]=[CH:31][C:10]([NH:9][C:7]([NH:6][C:5]3[CH:32]=[CH:33][C:2]([F:1])=[CH:3][CH:4]=3)=[O:8])=[CH:11][CH:12]=2)=[O:26])[CH2:40][CH2:41]1 | 1 |
C[Si](C)(C)CC[N:5]([C:9]1[CH:13]=[C:12]([CH3:14])[N:11]([CH2:15][C:16]2[CH:21]=[C:20]([Cl:22])[CH:19]=[CH:18][C:17]=2[O:23][CH2:24][CH:25]([CH3:27])[CH3:26])[N:10]=1)C(=O)[O-].[F-].C([N+](CCCC)(CCCC)CCCC)CCC>O1CCCC1>[Cl:22][C:20]1[CH:19]=[CH:18][C:17]([O:23][CH2:24][CH:25]([CH3:27])[CH3:26])=[C:16]([CH2:15][N:11]2[C:12]([CH3:14])=[CH:13][C:9]([NH2:5])=[N:10]2)[CH:21]=1 | 2 |
NC1CCN(CC1)C(=O)OC(C)(C)C.C(=O)C=1C(=NC=CC1)NC(OCC)=O>>O=C1N(CC2=C(N1)N=CC=C2)C2CCN(CC2)C(=O)OC(C)(C)C | 5 |
[CH2:1]([O:3][C:4](=[O:18])[CH2:5][CH:6]1[O:10][B:9]([OH:11])[C:8]2[CH:12]=[C:13]([OH:17])[CH:14]=[C:15]([CH3:16])[C:7]1=2)[CH3:2].[H-].[Na+].Br[CH2:22][C:23]([NH2:25])=[O:24]>CN(C=O)C>[CH2:1]([O:3][C:4](=[O:18])[CH2:5][CH:6]1[O:10][B:9]([OH:11])[C:8]2[CH:12]=[C:13]([O:17][CH2:22][C:23](=[O:24])[NH2:25])[CH:14]=[C:15]([CH3:16])[C:7]1=2)[CH3:2] | 1 |
P(Cl)(Cl)(Cl)=O.[Br:6][C:7]1[CH:8]=[C:9]2[C:14](=[CH:15][CH:16]=1)[C:13](=[O:17])[N:12]([CH2:18][CH:19]1[CH2:21][CH2:20]1)[CH:11]=[CH:10]2.CN([CH:25]=[O:26])C>>[Br:6][C:7]1[CH:8]=[C:9]2[C:14](=[CH:15][CH:16]=1)[C:13](=[O:17])[N:12]([CH2:18][CH:19]1[CH2:20][CH2:21]1)[CH:11]=[C:10]2[CH:25]=[O:26] | 1 |
FC(C(=O)NCCOCC#CCC=1C(NC(N([C@H]2CC[C@@H](CO)O2)C1)=O)=O)(F)F>>P(=O)(O)(O)OC[C@@H]1CC[C@@H](O1)N1C(=O)NC(=O)C(=C1)CC#CCOCCNC(C(F)(F)F)=O | 5 |
OC1=C(C=C(C=O)C=C1)[N+](=O)[O-]>ClCCl.CCN(CC)CC.P(=O)(OCC)(OCC)Cl>P(=O)(OCC)(OCC)OC1=C(C=C(C=C1)C=O)[N+](=O)[O-] | 3 |
[Si]([O:8][CH2:9][CH2:10][N:11]1[CH:15]=[C:14]([C:16]2[CH:17]=[C:18]3[C:23](=[CH:24][CH:25]=2)[N:22]([C:26](=[O:28])[CH3:27])[C@@H:21]([CH:29]2[CH2:31][CH2:30]2)[C@H:20]([CH3:32])[C@H:19]3[NH:33][C:34]2[CH:39]=[CH:38][CH:37]=[CH:36][N:35]=2)[CH:13]=[N:12]1)(C(C)(C)C)(C)C.CCCC[N+](CCCC)(CCCC)CCCC.[F-]>O1CCCC1.O.C(Cl)Cl>[CH:29]1([C@H:21]2[C@H:20]([CH3:32])[C@@H:19]([NH:33][C:34]3[CH:39]=[CH:38][CH:37]=[CH:36][N:35]=3)[C:18]3[C:23](=[CH:24][CH:25]=[C:16]([C:14]4[CH:13]=[N:12][N:11]([CH2:10][CH2:9][OH:8])[CH:15]=4)[CH:17]=3)[N:22]2[C:26](=[O:28])[CH3:27])[CH2:30][CH2:31]1 | 2 |
BrC1=C(C=C(C=C1)F)O.ClC(C(=O)[O-])(F)F.[Na+]>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>BrC1=C(C=C(C=C1)F)OC(F)F | 3 |
C[O:2][C:3](=[O:26])[C:4]1[CH:9]=[CH:8][C:7]([O:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])=[C:6]([Cl:25])[CH:5]=1.[OH-].[K+]>CO.O.C(O)C>[Cl:25][C:6]1[CH:5]=[C:4]([CH:9]=[CH:8][C:7]=1[O:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[C:3]([OH:26])=[O:2] | 1 |
C(C)(C)OC(CO)CO>C1CCCO1.CCN(CC)CC.CS(=O)(=O)Cl>CS(=O)(=O)OCC(COS(=O)(=O)C)OC(C)C | 3 |
C(C)(C)(C)[Si](C)(C)Cl.BrC1=CC=C(C(=O)NNC([C@@H]([C@H](C)O)NC2=C(C(=C(C=C2)C#N)Cl)C)=O)C=C1>>BrC1=CC=C(C(=O)NNC([C@@H]([C@H](C)O[Si](C)(C)C(C)(C)C)NC2=C(C(=C(C=C2)C#N)Cl)C)=O)C=C1 | 5 |
[CH2:1]([O:8][C:9]([N:11]1[CH2:15][CH2:14][CH2:13][C@@H:12]1[C:16]([C:18]1[C:26]2[C:21](=[CH:22][CH:23]=[C:24]([Br:27])[CH:25]=2)[NH:20][CH:19]=1)=O)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[BH4-].[Li+].Cl>O1CCCC1>[CH2:1]([O:8][C:9]([N:11]1[CH2:15][CH2:14][CH2:13][C@@H:12]1[CH2:16][C:18]1[C:26]2[C:21](=[CH:22][CH:23]=[C:24]([Br:27])[CH:25]=2)[NH:20][CH:19]=1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
[F:1][C:2]1[CH:10]=[C:9]2[C:5]([C:6]([C:20]3[CH:21]=[N:22][N:23]([CH2:25][CH:26]4[CH2:31]CN(C(OC(C)(C)C)=O)CC4)[CH:24]=3)=[CH:7][N:8]2[S:11]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)(=[O:13])=[O:12])=[CH:4][CH:3]=1.FC1C=C2C(C(C3C=NNC=3)=CN2S(C2C=CC=CC=2)(=O)=O)=CC=1.CS(OCC1C[N:71]([C:73]([O:75][C:76]([CH3:79])([CH3:78])[CH3:77])=[O:74])[CH2:70]1)(=O)=O>>[F:1][C:2]1[CH:10]=[C:9]2[C:5]([C:6]([C:20]3[CH:21]=[N:22][N:23]([CH2:25][CH:26]4[CH2:31][N:71]([C:73]([O:75][C:76]([CH3:79])([CH3:78])[CH3:77])=[O:74])[CH2:70]4)[CH:24]=3)=[CH:7][N:8]2[S:11]([C:14]2[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=2)(=[O:13])=[O:12])=[CH:4][CH:3]=1 | 1 |
[CH3:1][CH:2]1[C:10](=[O:11])[C:6]2[CH:7]=[CH:8]S[C:5]=2[CH2:4][CH2:3]1.[O:12]1C2CCCC(=O)C=2C=C1>>[CH3:1][CH:2]1[C:10](=[O:11])[C:6]2[CH:7]=[CH:8][O:12][C:5]=2[CH2:4][CH2:3]1 | 1 |
[F:1][C:2]([F:17])([F:16])[C:3]1[CH:4]=[C:5]([CH:9]2[NH:13][CH2:12][CH:11]([CH2:14][CH3:15])[O:10]2)[CH:6]=[CH:7][CH:8]=1.N1C=CC=CC=1.[F:24][C:25]([F:33])([F:32])[CH:26]([CH3:31])[CH2:27][C:28](Cl)=[O:29].[OH-].[Na+]>C(Cl)Cl.O>[F:17][C:2]([F:1])([F:16])[C:3]1[CH:4]=[C:5]([CH:9]2[N:13]([C:28](=[O:29])[CH2:27][CH:26]([C:25]([F:33])([F:32])[F:24])[CH3:31])[CH2:12][CH:11]([CH2:14][CH3:15])[O:10]2)[CH:6]=[CH:7][CH:8]=1 | 1 |
[CH2:1]=O.[CH2:3]([C:5]1[CH:6]=[C:7]([OH:11])[CH:8]=[CH:9][CH:10]=1)[CH3:4].[NH:12]1[CH2:17][CH2:16][O:15][CH2:14][CH2:13]1>C(#N)C>[N:12]1([CH2:1][C:8]2[CH:9]=[CH:10][C:5]([CH2:3][CH3:4])=[CH:6][C:7]=2[OH:11])[CH2:17][CH2:16][O:15][CH2:14][CH2:13]1 | 1 |
C(=O)(O)[O-:2].[Na+].Cl.NO.[Cl:9][C:10]1[C:11]([C:18]([F:21])([F:20])[F:19])=[CH:12][C:13]([C:16]#[N:17])=[N:14][CH:15]=1>C(O)C>[Cl:9][C:10]1[C:11]([C:18]([F:21])([F:19])[F:20])=[CH:12][C:13]([C:16]([NH2:17])=[O:2])=[N:14][CH:15]=1 | 1 |
OC(CC(=O)OC(C)(C)C)CC(C=CC1=CC=CC=C1)O>CC(=O)C.C1(=CC=C(C=C1)S(=O)(=O)O)C>CC1(OC(CC(O1)CC(=O)OC(C)(C)C)C=CC1=CC=CC=C1)C | 3 |
[NH2:1]C1C=CC=CC=1.[C:8]12[C:17](=[O:18])O[C:14](=[O:15])[C:9]=1[CH2:10][CH2:11][CH2:12][CH2:13]2.O>C(O)(=O)C>[C:17]1(=[O:18])[NH:1][C:14](=[O:15])[C:9]2[CH2:10][CH2:11][CH2:12][CH2:13][C:8]1=2 | 1 |
BrC=1C=C2C(=NC1C)N=C(O2)N2CCN1CCC2CC1>>N12CCN(C(CC1)CC2)C=2OC=1C(=NC(=C(C1)C#N)C)N2 | 5 |
[H-].[Al+3].[Li+].[H-].[H-].[H-].[CH2:7]([C:9]1[CH:10]=[C:11]([CH:16]=[CH:17][CH:18]=1)[C:12](OC)=[O:13])[CH3:8]>C1COCC1>[CH2:7]([C:9]1[CH:10]=[C:11]([CH2:12][OH:13])[CH:16]=[CH:17][CH:18]=1)[CH3:8] | 1 |
NCCC=1C=NC=CC1.CS(=O)(=O)C1=NC(=CC(=N1)C1=C2C=CNC2=CC(=C1)C#N)N1CCOCC1>>N1(CCOCC1)C1=CC(=NC(=N1)NCCC=1C=NC=CC1)C1=C2C=CNC2=CC(=C1)C#N | 5 |
Br[CH2:2][C:3]#[C:4][C:5]1[CH:14]=[CH:13][C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[CH:6]=1.[C:15]1([CH2:21][CH2:22][CH2:23][C:24]([O:26][CH3:27])=[O:25])[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1>>[CH:6]1[C:7]2[C:12](=[CH:11][CH:10]=[CH:9][CH:8]=2)[CH:13]=[CH:14][C:5]=1[C:4]#[C:3][CH2:2][CH:23]([CH2:22][CH2:21][C:15]1[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=1)[C:24]([O:26][CH3:27])=[O:25] | 2 |
N1=CC(=CC=C1)B(O)O.FC(OC1=CC=C(C=C1)C=1C=C(C(NN1)=O)C(=O)OC)F>N(C)(C)C=O.O.[OH-].[Na+].C(C)(=O)[O-].[Cu+2].C(C)(=O)[O-].C([O-])([O-])=O.[Na+].[Na+].N1=C(C=CC=C1)C1=NC=CC=C1>FC(OC1=CC=C(C=C1)C=1C=C(C(N(N1)C=1C=NC=CC1)=O)C(=O)O)F | 3 |
BrC=1C=C(N)C=CC1.N1C=CC2=CC(=CC=C12)B(O)O>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>N1C=CC2=CC(=CC=C12)C=1C=C(C=CC1)N | 3 |
C(C1=CC=CC=C1)Br.[N+](=O)([O-])C1=CC=C(COC(=O)NN)C=C1>CCO[H]>[N+](=O)([O-])C1=CC=C(COC(=O)NNCC2=CC=CC=C2)C=C1 | 3 |
Br[C:2]1[CH:3]=[C:4]([CH2:9][NH:10][C:11]([C:13]2[CH:18]=[C:17]([CH3:19])[CH:16]=[C:15]([C:20]([NH:22][CH2:23][C:24]3[C:25]([NH:37][CH:38]4[CH2:43][CH2:42][O:41][CH2:40][CH2:39]4)=[C:26]4[CH:34]=[N:33][N:32]([CH2:35][CH3:36])[C:27]4=[N:28][C:29]=3[CH2:30][CH3:31])=[O:21])[CH:14]=2)=[O:12])[CH:5]=[CH:6][C:7]=1[Cl:8].[CH:44]([C:46]1[CH:47]=[C:48](B(O)O)[CH:49]=[CH:50][CH:51]=1)=[O:45].C(=O)([O-])[O-].[K+].[K+]>O1CCOCC1.O.C(Cl)Cl.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>[Cl:8][C:7]1[C:2]([C:50]2[CH:49]=[CH:48][CH:47]=[C:46]([CH:44]=[O:45])[CH:51]=2)=[CH:3][C:4]([CH2:9][NH:10][C:11]([C:13]2[CH:18]=[C:17]([CH3:19])[CH:16]=[C:15]([C:20]([NH:22][CH2:23][C:24]3[C:25]([NH:37][CH:38]4[CH2:43][CH2:42][O:41][CH2:40][CH2:39]4)=[C:26]4[CH:34]=[N:33][N:32]([CH2:35][CH3:36])[C:27]4=[N:28][C:29]=3[CH2:30][CH3:31])=[O:21])[CH:14]=2)=[O:12])=[CH:5][CH:6]=1 | 1 |
C1(P(C2CCCCC2)C2C=CC=CC=2C2C(C(C)C)=CC(C(C)C)=CC=2C(C)C)CCCCC1.[CH3:35][O:36][C:37]1[CH:38]=[C:39]([C:43]2[CH:44]=[N:45][C:46]([N:50]3[CH2:55][CH2:54][O:53][CH2:52][CH2:51]3)=[CH:47][C:48]=2[NH2:49])[CH:40]=[N:41][CH:42]=1.Cl[C:57]1[C:66]2[C:61](=[C:62]([Cl:68])[CH:63]=[CH:64][C:65]=2[F:67])[N:60]=[C:59]([C:69]2[CH:74]=[CH:73][CH:72]=[CH:71][N:70]=2)[C:58]=1[CH3:75].CC(C)([O-])C.[Na+]>C1(C)C=CC=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd]>[Cl:68][C:62]1[CH:63]=[CH:64][C:65]([F:67])=[C:66]2[C:61]=1[N:60]=[C:59]([C:69]1[CH:74]=[CH:73][CH:72]=[CH:71][N:70]=1)[C:58]([CH3:75])=[C:57]2[NH:49][C:48]1[CH:47]=[C:46]([N:50]2[CH2:55][CH2:54][O:53][CH2:52][CH2:51]2)[N:45]=[CH:44][C:43]=1[C:39]1[CH:40]=[N:41][CH:42]=[C:37]([O:36][CH3:35])[CH:38]=1 | 2 |
ClC1=C(C(=O)Cl)C=CC(=C1)Cl.Cl.NNC(=S)N>>ClC1=C(C(=O)NNC(=S)N)C=CC(=C1)Cl | 5 |
C(C)(C)(C)OC(=O)N1CCCC2=CC(=CC=C12)C1=C(C2=C(CCC1)C=C(C=C2)O)C2=CC=C(C=C2)O[C@@H]2CN(CC2)CCCF>ClCCl.Cl.C(O)([O-])=O.[Na+]>CC1(NC2=CC=C(C=C2C1)C1=C(C2=C(CCC1)C=C(C=C2)O)C2=CC=C(C=C2)O[C@@H]2CN(CC2)CCCF)C | 3 |
C(C=C)(=O)OC.Cl.ClC1=C(C=CC=C1)NN>>ClC1=C(C=CC=C1)N1NC(CC1)=O | 5 |
P(OC)(OC)O>CC(=O)C.C[O-].[Na+]>OC(C)(C)P(OC)(OC)=O | 3 |
CCCCCCCCCCCCCCCC(=O)Cl.C(C1=CC=CC=C1)NC(=O)N1C2N(C(CC1)=O)[C@H](C(N(C2)CC2=CC=CC1=CC=CC=C21)=O)CC2=CC=C(C=C2)O>C1CCCO1.CCN(CC)CC>C(CCCCCCCCCCCCCCC)(=O)OC1=CC=C(C=C1)C[C@H]1C(N([C@H](C2N1C(CCN2C(NCC2=CC=CC=C2)=O)=O)C)CC2=CC=CC1=CC=CC=C21)=O | 3 |
[N+](=O)([O-])C=1C=C(C(=O)O)C=CN1>ClS(Cl)=O>[N+](=O)([O-])C=1C=C(C(=O)Cl)C=CN1 | 3 |
[Br-].C[Mg+].CC=1NC2=CC=C(C=C2C1SC)C#N>C1CCCO1.[Cl-].[NH4+]>CC=1NC2=CC=C(C=C2C1SC)C(C)=O | 3 |
Cl.CON.O=C1N2C(N=NN1CC(CC)=O)=C(N=C2)C(=O)N>CC#N.c1ccncc1.CCO[H].C(C)(=O)OCC>CON=C(CN1N=NC=2N(C1=O)C=NC2C(=O)N)CC | 3 |
[CH3:1][N:2]([S:6](=[O:9])(=[O:8])[NH2:7])[CH:3]([CH3:5])[CH3:4].[Cl:10][C:11]1[CH:18]=[C:17]([F:19])[C:16]([N:20]2[C:25](=[O:26])[CH:24]=[C:23]([C:27]([F:30])([F:29])[F:28])[N:22]([CH3:31])[C:21]2=[O:32])=[CH:15][C:12]=1[CH:13]=O>C1(C)C=CC=CC=1>[Cl:10][C:11]1[C:12](/[CH:13]=[N:7]/[S:6](=[O:9])(=[O:8])[N:2]([CH:3]([CH3:5])[CH3:4])[CH3:1])=[CH:15][C:16]([N:20]2[C:25](=[O:26])[CH:24]=[C:23]([C:27]([F:30])([F:28])[F:29])[N:22]([CH3:31])[C:21]2=[O:32])=[C:17]([F:19])[CH:18]=1 | 2 |
Cl[C:2]1[O:3][C:4]([CH2:14][CH2:15][C:16]([NH:18][C:19]2[CH:24]=[CH:23][C:22]([CH2:25][P:26]([O:31][CH2:32][CH3:33])([O:28][CH2:29][CH3:30])=[O:27])=[CH:21][CH:20]=2)=[O:17])=[C:5]([C:7]2[CH:12]=[CH:11][C:10]([Cl:13])=[CH:9][CH:8]=2)[N:6]=1.[NH:34]1[CH:38]=[CH:37][N:36]=[CH:35]1.C(=O)([O-])[O-].[K+].[K+].CN(C)C=O>O>[Cl:13][C:10]1[CH:11]=[CH:12][C:7]([C:5]2[N:6]=[C:2]([N:34]3[CH:38]=[CH:37][N:36]=[CH:35]3)[O:3][C:4]=2[CH2:14][CH2:15][C:16]([NH:18][C:19]2[CH:20]=[CH:21][C:22]([CH2:25][P:26]([O:28][CH2:29][CH3:30])([O:31][CH2:32][CH3:33])=[O:27])=[CH:23][CH:24]=2)=[O:17])=[CH:8][CH:9]=1 | 1 |
C([O:3][C:4](=[O:40])[CH2:5][O:6][C:7]1[CH:12]=[CH:11][C:10]([S:13]([N:16]2[CH2:25][C:24]([CH3:27])([CH3:26])[C:23]3[C:18](=[CH:19][C:20]([C:28]4[CH:33]=[CH:32][C:31]([C:34]([F:37])([F:36])[F:35])=[CH:30][CH:29]=4)=[CH:21][CH:22]=3)[CH:17]2[CH3:38])(=[O:15])=[O:14])=[CH:9][C:8]=1[CH3:39])C.[OH-].[Na+]>C(O)C>[CH3:39][C:8]1[CH:9]=[C:10]([S:13]([N:16]2[CH2:25][C:24]([CH3:27])([CH3:26])[C:23]3[C:18](=[CH:19][C:20]([C:28]4[CH:29]=[CH:30][C:31]([C:34]([F:36])([F:37])[F:35])=[CH:32][CH:33]=4)=[CH:21][CH:22]=3)[CH:17]2[CH3:38])(=[O:14])=[O:15])[CH:11]=[CH:12][C:7]=1[O:6][CH2:5][C:4]([OH:40])=[O:3] | 2 |
FC=1C=C(C=CC1OC)CC(C(=O)O)C.BrC=1C=C(C(=CC1)NC1CCN(CC1)C)N>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>BrC1=CC2=C(N(C(=N2)C(CC2=CC(=C(C=C2)OC)F)C)C2CCN(CC2)C)C=C1 | 3 |
[CH:1]1([NH:4][C:5]([C@H:7]2[CH2:11][CH2:10][CH2:9][N:8]2[C:12]2[CH:17]=[CH:16][C:15]([NH2:18])=[CH:14][CH:13]=2)=[O:6])[CH2:3][CH2:2]1.[C:19]([O:23][C:24](=[O:40])[NH:25]/[C:26](/N1C=CC=N1)=[N:27]/[C:28](=[O:34])[O:29][C:30]([CH3:33])([CH3:32])[CH3:31])([CH3:22])([CH3:21])[CH3:20]>C(Cl)Cl>[C:30]([O:29][C:28]([NH:27]/[C:26](/[NH:18][C:15]1[CH:14]=[CH:13][C:12]([N:8]2[CH2:9][CH2:10][CH2:11][C@@H:7]2[C:5]([NH:4][CH:1]2[CH2:2][CH2:3]2)=[O:6])=[CH:17][CH:16]=1)=[N:25]/[C:24]([O:23][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:40])=[O:34])([CH3:33])([CH3:32])[CH3:31] | 1 |
OC1=NC(=CC(=N1)C)C>S(O)(O)(=O)=O.[N+](=O)([O-])[O-].[K+]>CC1=NC(=NC(=C1[N+](=O)[O-])C)O | 3 |
O1C(=CC=C1)C(=O)Cl.NC=1C(=CC(=C(C(=O)NCCCN2C(CCC2)=O)C1)C1CC1)N1CCN(CC1)C1=C(C=CC=C1)C>>C1(CC1)C1=CC(=C(C=C1C(NCCCN1C(CCC1)=O)=O)NC(=O)C=1OC=CC1)N1CCN(CC1)C1=C(C=CC=C1)C | 5 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C@@H:8]([N:10]2[CH2:15][CH2:14][C@:13]([CH2:23][CH:24]([CH3:27])[C:25]#[N:26])([C:16]3[CH:21]=[CH:20][C:19]([F:22])=[CH:18][CH:17]=3)[O:12][C:11]2=[O:28])[CH3:9])=[CH:4][CH:3]=1.CI.[Li+].[CH3:32][Si]([N-][Si](C)(C)C)(C)C>C1COCC1>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C@@H:8]([N:10]2[CH2:15][CH2:14][C@:13]([CH2:23][C:24]([CH3:32])([CH3:27])[C:25]#[N:26])([C:16]3[CH:21]=[CH:20][C:19]([F:22])=[CH:18][CH:17]=3)[O:12][C:11]2=[O:28])[CH3:9])=[CH:4][CH:3]=1 | 1 |
[CH2:1]([N:3]1[CH2:8][CH2:7][NH:6][CH2:5][CH2:4]1)[CH3:2].Cl[C:10]1[CH:11]=[CH:12][C:13]([N+:32]([O-:34])=[O:33])=[C:14]([CH:31]=1)[C:15]([NH:17][C:18]1[CH:23]=[C:22]([C:24]([NH:26][CH:27]2[CH2:29][CH2:28]2)=[O:25])[CH:21]=[CH:20][C:19]=1[CH3:30])=[O:16]>>[CH:27]1([NH:26][C:24]([C:22]2[CH:21]=[CH:20][C:19]([CH3:30])=[C:18]([NH:17][C:15](=[O:16])[C:14]3[CH:31]=[C:10]([N:6]4[CH2:7][CH2:8][N:3]([CH2:1][CH3:2])[CH2:4][CH2:5]4)[CH:11]=[CH:12][C:13]=3[N+:32]([O-:34])=[O:33])[CH:23]=2)=[O:25])[CH2:29][CH2:28]1 | 1 |
FC1=CC=C(C=C1)[N+](=O)[O-].Cl.N1CCC(CC1)N1CCCCCC1>>[N+](=O)([O-])C1=CC=C(C=C1)N1CCC(CC1)N1CCCCCC1 | 5 |
C(C=C)(=O)OC.FC1=C(C=CC=C1)NC(=O)NC1=C(C=CC(=C1)C(F)(F)F)OC>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C(C)(=O)O.OS(=O)(=O)O.O=S(=O)=O>COC(\C=C/C1=C(C(=CC=C1)F)NC(NC1=C(C=CC(=C1)C(F)(F)F)OC)=O)=O | 3 |
C(C)(=O)OC(C)=O.OC1=CC=C(C=C1)S(=O)(=O)N>O.[OH-].[Na+]>S(N)(=O)(=O)C1=CC=C(C=C1)OC(C)=O | 3 |
[F:1][C:2]1[CH:3]=[C:4]([OH:8])[CH:5]=[CH:6][CH:7]=1.C(=O)([O-])[O-].[K+].[K+].[CH2:15]([CH:17]1[O:19][CH2:18]1)Br>CC(C)=O>[CH2:15]([O:8][C:4]1[CH:5]=[CH:6][CH:7]=[C:2]([F:1])[CH:3]=1)[CH:17]1[O:19][CH2:18]1 | 1 |
[CH3:1][N:2]1[C:10]2[CH2:9][CH:8]([C:11]3[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=3)[CH2:7][C:6](=O)[C:5]=2[C:4]([CH3:18])=[CH:3]1.[C:19]([NH:22][NH2:23])([NH2:21])=[NH:20].[ClH:24].Cl.O>C(O)C>[ClH:24].[NH:22]([N:23]=[C:6]1[CH2:7][CH:8]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[CH2:9][C:10]2[N:2]([CH3:1])[CH:3]=[C:4]([CH3:18])[C:5]1=2)[C:19]([NH2:21])=[NH:20] | 1 |
NC1=NC(=C(C(=O)OC)C(=C1CO)C=1C=C2CCCOC2=CC1)C>ClCCl.C=1C=C[NH+]=CC1.[O-][Cr](=O)(=O)Cl>NC1=NC(=C(C(=O)OC)C(=C1C=O)C=1C=C2CCCOC2=CC1)C | 3 |
C(C)(=O)OC(C)=O.S1C(=NC=C1)C=1C=C(C=CC1)N1C=NC2=C1C=CC(=C2)CN>>S1C(=NC=C1)C=1C=C(C=CC1)N1C=NC2=C1C=CC(=C2)CNC(C)=O | 5 |
I[Si](C)(C)C.COC(NC1CC(CCC1)N1C(C=2C(C=3C(=CC=CC13)Cl)=NOC2C)=O)=O>ClCCl>I.NC1CC(CCC1)N1C(C=2C(C=3C(=CC=CC13)Cl)=NOC2C)=O | 3 |
[C:1]1([NH:7][C:8]2([C:21]([O:23][CH3:24])=[O:22])[CH2:13][CH2:12][N:11](CC3C=CC=CC=3)[CH2:10][CH2:9]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[H][H]>[Pd].CO>[C:1]1([NH:7][C:8]2([C:21]([O:23][CH3:24])=[O:22])[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
C([NH:8][C:9]1[C:14]2[O:15][CH2:16][CH2:17][N:18]([C:19]([O:21][C:22]([CH3:25])([CH3:24])[CH3:23])=[O:20])[C:13]=2[CH:12]=[CH:11][N:10]=1)C1C=CC=CC=1>CO.[Pd]>[NH2:8][C:9]1[C:14]2[O:15][CH2:16][CH2:17][N:18]([C:19]([O:21][C:22]([CH3:25])([CH3:24])[CH3:23])=[O:20])[C:13]=2[CH:12]=[CH:11][N:10]=1 | 1 |
[Br:1][C:2]1[CH:3]=[CH:4][C:5]2=[C:6]([CH:18]=1)[NH:7][C:8](=O)[CH2:9][C:10]([C:12]([O:14][CH2:15][CH3:16])=[O:13])=[CH:11]2.COC1C=CC(P2(SP(C3C=CC(OC)=CC=3)(=S)S2)=[S:28])=CC=1>O1CCOCC1>[Br:1][C:2]1[CH:3]=[CH:4][C:5]2=[C:6]([CH:18]=1)[NH:7][C:8](=[S:28])[CH2:9][C:10]([C:12]([O:14][CH2:15][CH3:16])=[O:13])=[CH:11]2 | 2 |
[CH2:1]([O:4][C:5](=[O:34])[CH:6]([CH2:15][CH2:16][N:17]1[C:22](=[O:23])[CH:21]=[CH:20][N:19]([CH2:24][O:25][CH2:26][C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[C:18]1=[O:33])[NH:7]C(OC(C)(C)C)=O)[CH:2]=[CH2:3].C(OC(=O)C(CCN1C(=O)C2=CC=CC=C2C1=O)NC(OC(C)(C)C)=O)C=C.[CH3:63][O:64][C:65]1[CH:70]=[CH:69][C:68]([S:71](Cl)(=[O:73])=[O:72])=[CH:67][CH:66]=1>>[CH2:1]([O:4][C:5](=[O:34])[CH:6]([CH2:15][CH2:16][N:17]1[C:22](=[O:23])[CH:21]=[CH:20][N:19]([CH2:24][O:25][CH2:26][C:27]2[CH:28]=[CH:29][CH:30]=[CH:31][CH:32]=2)[C:18]1=[O:33])[NH:7][S:71]([C:68]1[CH:67]=[CH:66][C:65]([O:64][CH3:63])=[CH:70][CH:69]=1)(=[O:73])=[O:72])[CH:2]=[CH2:3] | 1 |
[O:1]1[CH:5]=[CH:4][CH:3]=[C:2]1B(O)O.C(=O)([O-])[O-].[Na+].[Na+].Br[C:16]1[CH:17]=[C:18]2[C:22](=[CH:23][CH:24]=1)[N:21]([CH3:25])[C:20]([C:26]1[CH:31]=[CH:30][C:29]([Cl:32])=[CH:28][CH:27]=1)=[C:19]2[CH2:33][CH2:34][C:35]([N:37]1[CH2:42][CH2:41][C:40]([CH2:44][C:45]2[CH:50]=[CH:49][CH:48]=[CH:47][CH:46]=2)([OH:43])[CH2:39][CH2:38]1)=[O:36]>COCCOC>[Cl:32][C:29]1[CH:30]=[CH:31][C:26]([C:20]2[N:21]([CH3:25])[C:22]3[C:18]([C:19]=2[CH2:33][CH2:34][C:35]([N:37]2[CH2:38][CH2:39][C:40]([CH2:44][C:45]4[CH:46]=[CH:47][CH:48]=[CH:49][CH:50]=4)([OH:43])[CH2:41][CH2:42]2)=[O:36])=[CH:17][C:16]([C:2]2[O:1][CH:5]=[CH:4][CH:3]=2)=[CH:24][CH:23]=3)=[CH:27][CH:28]=1 | 2 |
[CH2:1]([C:4]1[CH:8]=[C:7]([C:9]([O:11][CH2:12][CH3:13])=[O:10])[NH:6][N:5]=1)[CH2:2][CH3:3].[C:14]([O:18][C:19]([C:21]1[C:22]([C:27]2[CH:32]=[CH:31][C:30]([CH2:33]Br)=[C:29]([F:35])[CH:28]=2)=[CH:23][CH:24]=[CH:25][CH:26]=1)=[O:20])([CH3:17])([CH3:16])[CH3:15].C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C.CCOC(C)=O>[CH2:12]([O:11][C:9]([C:7]1[CH:8]=[C:4]([CH2:1][CH2:2][CH3:3])[N:5]([CH2:33][C:30]2[CH:31]=[CH:32][C:27]([C:22]3[CH:23]=[CH:24][CH:25]=[CH:26][C:21]=3[C:19]([O:18][C:14]([CH3:16])([CH3:15])[CH3:17])=[O:20])=[CH:28][C:29]=2[F:35])[N:6]=1)=[O:10])[CH3:13] | 1 |
C(C)OC=C[Sn](CCCC)(CCCC)CCCC.C(C1=CC=CC=C1)OC(NCCCNC1=NC(=NC=C1Br)Cl)=O>C1(=CC=CC=C1)C.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(C1=CC=CC=C1)OC(NCCCNC1=NC(=NC=C1\C=C/OCC)Cl)=O | 3 |
C(C)(C)(C)OC(=O)N1C(C=2N(C3=CC=CC=C3C2C(CC1)=CC(=O)OCC)C(=O)OC(C)(C)C)=O>>O=C1NCC=C(C2=C1NC1=CC=CC=C21)CC(=O)O | 5 |
C(C)(C)(C)[Si](C)(C)OCCCI.BrC=1C=C(SC1Br)C1OCCO1>C1CCCO1>BrC1=C(SC(=C1)C1OCCO1)CCCO | 3 |
[F:1][C:2]([F:12])([F:11])[C:3](=O)[CH2:4][C:5]([O:7][CH2:8][CH3:9])=[O:6].BrBr.[N:15]1[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=1[NH2:21]>C(Cl)Cl.C(O)C>[F:1][C:2]([F:12])([F:11])[C:3]1[N:21]=[C:16]2[CH:17]=[CH:18][CH:19]=[CH:20][N:15]2[C:4]=1[C:5]([O:7][CH2:8][CH3:9])=[O:6] | 2 |
Cl.[NH2:2][C@@H:3]1[CH2:8][CH2:7][C@H:6]([NH:9][C:10]([C:12]2[C:16]3=[N:17][CH:18]=[CH:19][C:20]([C:21]4[C:29]5[O:28][CH2:27][O:26][C:25]=5[CH:24]=[CH:23][C:22]=4[O:30][CH2:31][CH:32]4[CH2:34][CH2:33]4)=[C:15]3[NH:14][C:13]=2[CH3:35])=[O:11])[CH2:5][CH2:4]1.[CH3:36][O:37][CH2:38][C:39](Cl)=[O:40]>>[CH:32]1([CH2:31][O:30][C:22]2[CH:23]=[CH:24][C:25]3[O:26][CH2:27][O:28][C:29]=3[C:21]=2[C:20]2[CH:19]=[CH:18][N:17]=[C:16]3[C:12]([C:10]([NH:9][C@H:6]4[CH2:7][CH2:8][C@@H:3]([NH:2][C:39](=[O:40])[CH2:38][O:37][CH3:36])[CH2:4][CH2:5]4)=[O:11])=[C:13]([CH3:35])[NH:14][C:15]=23)[CH2:33][CH2:34]1 | 1 |
[CH2:1]([O:8][C:9]([NH:11][C@H:12]([C:17]([NH:19][C@H:20]([C:22]([OH:24])=O)[CH3:21])=[O:18])[CH2:13][CH:14]([CH3:16])[CH3:15])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.ON1C(=O)CCC1=O.C1(N=C=NC2CCCCC2)CCCCC1.[NH2:48][C:49]1([C:54]([O:56][CH2:57][CH3:58])=[O:55])[CH2:53][CH2:52][CH2:51][CH2:50]1.Cl.C(N1CCCCC1)C>CN(C)C=O>[CH2:1]([O:8][C:9]([NH:11][C@H:12]([C:17]([NH:19][C@H:20]([C:22]([CH:50]1[CH2:51][CH2:52][CH2:53][C:49]1([NH2:48])[C:54]([O:56][CH2:57][CH3:58])=[O:55])=[O:24])[CH3:21])=[O:18])[CH2:13][CH:14]([CH3:15])[CH3:16])=[O:10])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
IC1=CC=C(C)C=C1>[Cu]I.O.CCO[H].[OH-].[Na+].N.O1[Fe]2O[Fe]1O2>NC1=CC=C(C=C1)C | 3 |
COC1=CC=C(CCl)C=C1.O=C1CC(CN1)C(=O)OC>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>COC(=O)C1CN(C(C1)=O)CC1=CC=C(C=C1)OC | 3 |
[Si](C)(C)(C(C)(C)C)OC[C@@H]1C=C[C@H](CO1)NC(OC(C)(C)C)=O>>OC[C@@H]1C=C[C@H](CO1)NC(OC(C)(C)C)=O | 5 |
CSC(=C[N+](=O)[O-])SC>C1(=CC=CC=C1)C.C(O)CN>OCCNC(=C[N+](=O)[O-])NCCO | 3 |
[CH3:1][O:2][C:3]1[CH:40]=[CH:39][C:6]([CH2:7][N:8]([CH2:30][C:31]2[CH:36]=[CH:35][C:34]([O:37][CH3:38])=[CH:33][CH:32]=2)[C:9]2[N:14]=[CH:13][C:12]([C:15]3[C:16]4[CH2:29][CH2:28][NH:27][C:17]=4[N:18]=[C:19]([N:21]4[CH2:26][CH2:25][O:24][CH2:23][CH2:22]4)[N:20]=3)=[CH:11][N:10]=2)=[CH:5][CH:4]=1.N1C=CC=CC=1.ClC(Cl)(O[C:51](=[O:57])OC(Cl)(Cl)Cl)Cl.[CH2:59]([N:61]1[CH2:66][CH2:65][N:64]([C:67]2[CH:72]=[C:71]([F:73])[C:70]([NH2:74])=[C:69]([F:75])[CH:68]=2)[CH2:63][CH2:62]1)[CH3:60]>ClCCl>[CH2:59]([N:61]1[CH2:66][CH2:65][N:64]([C:67]2[CH:68]=[C:69]([F:75])[C:70]([NH:74][C:51]([N:27]3[C:17]4[N:18]=[C:19]([N:21]5[CH2:26][CH2:25][O:24][CH2:23][CH2:22]5)[N:20]=[C:15]([C:12]5[CH:11]=[N:10][C:9]([N:8]([CH2:7][C:6]6[CH:5]=[CH:4][C:3]([O:2][CH3:1])=[CH:40][CH:39]=6)[CH2:30][C:31]6[CH:32]=[CH:33][C:34]([O:37][CH3:38])=[CH:35][CH:36]=6)=[N:14][CH:13]=5)[C:16]=4[CH2:29][CH2:28]3)=[O:57])=[C:71]([F:73])[CH:72]=2)[CH2:63][CH2:62]1)[CH3:60] | 1 |
BrCCCC(=O)OC.FC(C=1C=CC(=NC1)N1CCNCC1)(F)F>CC#N.C([O-])([O-])=O.[K+].[K+].[I-].[K+].[OH-].[Li+]>[Li+].FC(C=1C=CC(=NC1)N1CCN(CC1)CCCC(=O)[O-])(F)F | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.CNCCO>ClCCl>OCCN(C(OC(C)(C)C)=O)C | 3 |
OC(C)(C)[C:3]#[C:4][C:5]#[C:6][C:7]1[CH:12]=[CH:11][CH:10]=[C:9]([NH:13][CH3:14])[CH:8]=1.[OH-].[K+]>C1C=CC=CC=1>[CH3:14][NH:13][C:9]1[CH:8]=[C:7]([C:6]#[C:5][C:4]#[CH:3])[CH:12]=[CH:11][CH:10]=1 | 1 |
N1=CC(=CC=C1)NC(OC(C)(C)C)=O.O=C1CN(CC1)C(=O)OCC1=CC=CC=C1>C1CCCO1.C(C)(C)(C)[Li].CCCCC>C(C)(C)(C)OC(=O)NC=1C=NC=CC1C1(CN(CC1)C(=O)OCC1=CC=CC=C1)O | 3 |
C1(=CC=CC=C1)C=1C=CC=2N(N1)C(=NN2)COC2=CC=NC1=CC(=CC=C21)C#N>S(O)(O)(=O)=O>C1(=CC=CC=C1)C=1C=CC=2N(N1)C(=NN2)COC2=CC=NC1=CC(=CC=C21)C(=O)N | 3 |
CN(CCCO)C.BrC=1C=CC(=NC1)F>N(C)(C)C=O.[H-].[Na+]>BrC=1C=CC(=NC1)OCCCN(C)C | 3 |
FC1=CC=C(CN)C=C1.C(C)(C)(C)OC(=O)N1[C@@H](CCC1)C=O>>C(C)(C)(C)OC(=O)N1[C@H](CCC1)CNCC1=CC=C(C=C1)F | 5 |
[N+:1]([C:4]1[CH:5]=[C:6]([NH:10][C:11]([NH2:13])=[O:12])[CH:7]=[CH:8][CH:9]=1)([O-])=O>[Pd].CO>[NH2:1][C:4]1[CH:5]=[C:6]([NH:10][C:11]([NH2:13])=[O:12])[CH:7]=[CH:8][CH:9]=1 | 1 |
C(#N)C=1C(=C(C(=CC1)[N+](=O)[O-])NC(C)=O)C>>NC=1C(=C(C#N)C=CC1[N+](=O)[O-])C | 5 |
C(C)S(=O)(=O)N1CCC(CC1)C1=CNC2=C(C=C(C=C12)C1=CC=C(C=C1)CO)C(=O)N>C1CCCO1.[O-2].[Mn+2]>C(C)S(=O)(=O)N1CCC(CC1)C1=CNC2=C(C=C(C=C12)C1=CC=C(C=C1)C=O)C(=O)N | 3 |
C1(C=2C(C(N1CCCO[C@H]1[C@@H](O[C@@H]([C@H]1O)CO)N1C(=S)NC(=O)C(=C1)C)=O)=CC=CC2)=O>>NCCCO[C@H]1[C@@H](O[C@@H]([C@H]1O)CO)N1C(=S)NC(=O)C(=C1)C | 5 |
[CH2:1]([N:8]1[C:16]2[C:11](=[N:12][CH:13]=[C:14](Br)[C:15]=2[O:17][CH2:18][C:19]2[CH:24]=[CH:23][C:22]([F:25])=[CH:21][CH:20]=2)[C:10]([CH3:27])=[C:9]1[CH3:28])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[Cu][C:30]#[N:31].C(OCC)(=O)C>CN(C)C=O>[CH2:1]([N:8]1[C:16]2[C:11](=[N:12][CH:13]=[C:14]([C:30]#[N:31])[C:15]=2[O:17][CH2:18][C:19]2[CH:24]=[CH:23][C:22]([F:25])=[CH:21][CH:20]=2)[C:10]([CH3:27])=[C:9]1[CH3:28])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
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