smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[OH:1][CH2:2][CH:3]1[CH2:8][CH2:7][CH2:6][CH2:5][CH:4]1[CH2:9][OH:10]>[Pt].CC(C)=O>[C@H:3]12[CH2:2][O:1][C:9](=[O:10])[C@H:4]1[CH2:5][CH2:6][CH2:7][CH2:8]2 | 1 |
CO[NH3+].[Cl-].BrC1=C(C=O)C(=C(C=C1C)F)F>C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC.O.NN.COCCOC>BrC1=C2C=NNC2=C(C=C1C)F | 3 |
C(C)B(C=1C=NC=CC1)CC.ClC=1C=C2C=CC(=CC2=CC1)S(=O)(=O)N1CCN(CC1)C(C1=CC=C(C=C1)I)=O>>ClC=1C=C2C=CC(=CC2=CC1)S(=O)(=O)N1CCN(CC1)C(C1=CC=C(C=C1)C=1C=NC=CC1)=O | 5 |
[Si:1]([O:18][CH:19]1[CH2:24][CH:23]2[CH:21]([CH:22]2[C:25](N(OC)C)=[O:26])[CH2:20]1)([C:14]([CH3:17])([CH3:16])[CH3:15])([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:31][Mg]Br.[Cl-].[NH4+]>O1CCCC1>[Si:1]([O:18][CH:19]1[CH2:24][CH:23]2[CH:21]([CH:22]2[C:25](=[O:26])[CH3:31])[CH2:20]1)([C:14]([CH3:16])([CH3:15])[CH3:17])([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
ClCC(CC(=O)OCC)=O.C(\C=C\C1=CC=CC=C1)(=O)N>>C(C)OC(CC=1N=C(OC1)\C=C\C1=CC=CC=C1)=O | 3 |
C[O:2][C:3]1[CH:8]=[C:7]([N+:9]([O-:11])=[O:10])[CH:6]=[CH:5][C:4]=1[C:12]([F:15])([F:14])[F:13].[Br:16][C:17]1[CH:22]=[CH:21][C:20]([N+:23]([O-:25])=[O:24])=[CH:19][C:18]=1[O:26]C.Cl.N1C=CC=CC=1>>[N+:9]([C:7]1[CH:6]=[CH:5][C:4]([C:12]([F:13])([F:14])[F:15])=[C:3]([OH:2])[CH:8]=1)([O-:11])=[O:10].[Br:16][C:17]1[CH:22]=[CH:21][C:20]([N+:23]([O-:25])=[O:24])=[CH:19][C:18]=1[OH:26] | 1 |
Cl.CNOC.FC(CC=1C=CC(=NC1)C(=O)OC1=C(C=C(C=C1Cl)Cl)Cl)(F)F>CC#N.O.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>CON(C(=O)C1=NC=C(C=C1)CC(F)(F)F)C | 3 |
CS([O:5][C:6]1[CH:11]=[CH:10][C:9]([N:12]([CH2:17][C:18]2[CH:23]=[CH:22][C:21]([OH:24])=[CH:20][CH:19]=2)[S:13]([CH3:16])(=[O:15])=[O:14])=[CH:8][CH:7]=1)(=O)=O.C[O-].[Na+].O1CCCC1.Cl>CO>[OH:24][C:21]1[CH:22]=[CH:23][C:18]([CH2:17][N:12]([C:9]2[CH:10]=[CH:11][C:6]([OH:5])=[CH:7][CH:8]=2)[S:13]([CH3:16])(=[O:15])=[O:14])=[CH:19][CH:20]=1 | 1 |
[F:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[CH:4][C:3]=1[C:9]1[CH:14]=[CH:13][N:12]=[C:11]2[NH:15][C:16]([C:18]3[CH2:23][CH2:22][N:21](C(OC(C)(C)C)=O)[CH2:20][CH:19]=3)=[CH:17][C:10]=12.FC(F)(F)C(O)=O>ClCCl>[F:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[CH:4][C:3]=1[C:9]1[CH:14]=[CH:13][N:12]=[C:11]2[NH:15][C:16]([C:18]3[CH2:23][CH2:22][NH:21][CH2:20][CH:19]=3)=[CH:17][C:10]=12 | 1 |
[NH2:1][CH:2]([C:6]#[N:7])[C:3]([NH2:5])=[O:4].[CH:8](OCC)(OCC)OCC.[NH2:18][CH2:19][CH:20]([OH:22])[CH3:21]>C(#N)C>[NH2:7][C:6]1[N:18]([CH2:19][CH:20]([OH:22])[CH3:21])[CH:8]=[N:1][C:2]=1[C:3]([NH2:5])=[O:4] | 2 |
NC=1C=C(C=CC1C(=O)N1CCOCC1)C=1C=CC=2N(N1)C(=CN2)C2=CC=C(C#N)C=C2>>C(#N)C1=CC=C(C=C1)C1=CN=C2N1N=C(C=C2)C=2C=CC(=C(C2)NC(C)=O)C(=O)N2CCOCC2 | 5 |
C1CCCCC1.[CH3:7][C:8]([O-:10])=[O:9].[CH3:11][C:12]([O-:14])=[O:13].[Cu+2:15].[CH:16](=[O:18])[CH3:17].O=O.C1(O)CCCCC1.C1(=O)CCCCC1.[C:35](#[N:42])[C:36]1[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1>ClCCl>[CH3:7][C:8]([O-:10])=[O:9].[CH3:11][C:12]([O-:14])=[O:13].[Cu+2:15].[CH:16](=[O:18])[CH3:17].[C:35](#[N:42])[C:36]1[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1 | 1 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([CH3:8])=[CH:4][N:3]=1.[Cl:9][S:10](O)(=[O:12])=[O:11].C(=O)(O)[O-].[Na+]>>[NH2:1][C:2]1[C:7]([S:10]([Cl:9])(=[O:12])=[O:11])=[CH:6][C:5]([CH3:8])=[CH:4][N:3]=1 | 1 |
C(CO)O.BrCCCl.C1=C(C=CC2=CC=CC=C12)CC#N>>C1=C(C=CC2=CC=CC=C12)C1(CC1)C(=O)O | 5 |
BrC=1C=CC(=C(C1)C)F.O1CCC(CC1)=O>O.C1CCCO1.C(CCC)[Li]>FC1=C(C=C(C=C1)C1(CCOCC1)O)C | 3 |
[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C:12]#[N:13])[CH:2]=1.[H][H]>CO.C(N(CC)CC)C.[Co]>[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][NH2:13])[CH:2]=1 | 1 |
[C-]#N.[Zn+2].[C-]#N.COC(=O)C1=NC=C(C=N1)Br>>C(#N)C=1C=NC(=NC1)C(=O)OC | 5 |
C(C1=CC=CC=C1)N1C[C@@H](C[C@H](C1)C)NC(OC(C)(C)C)=O>>C(C1=CC=CC=C1)N1C[C@@H](C[C@H](C1)C)N | 5 |
C(C)S(=O)(=O)C=1C=C2C(=C(C(=NC2=CC1OC)C1=CC(=CC=C1)C(F)(F)F)CN1CCC(CC1)N1CCCC1)C(=O)OC>O.CO[H].[OH-].[K+]>C(C)S(=O)(=O)C=1C=C2C(=C(C(=NC2=CC1OC)C1=CC(=CC=C1)C(F)(F)F)CN1CCC(CC1)N1CCCC1)C(=O)O | 3 |
CS(=O)(=O)C1=CC=C(C[C@@H]2N(CC[C@H](C2)C2=CC(NO2)=O)C(=O)OC)C=C1>>CS(=O)(=O)C1=CC=C(C[C@@H]2NCC[C@H](C2)C2=CC(NO2)=O)C=C1 | 5 |
[CH3:1][O:2][C:3](=[O:17])[C:4]1[CH:9]=[C:8]([N+:10]([O-])=O)[CH:7]=[C:6]([N+:13]([O-])=O)[C:5]=1[Br:16].[C:18](OC(=O)C)(=[O:20])[CH3:19].[CH3:25]O.CN(C)[CH:29]=[O:30]>C(Cl)Cl.C(O)(=O)C.[Fe]>[CH3:1][O:2][C:3](=[O:17])[C:4]1[CH:9]=[C:8]([NH:10][C:18](=[O:20])[CH3:19])[CH:7]=[C:6]([NH:13][C:29](=[O:30])[CH3:25])[C:5]=1[Br:16] | 1 |
COC(C1C=C(NS(C2C=CC(C)=CC=2)(=O)=O)C2C(=C(OCC3C=CC=CC=3)C=CC=2)N=1)=O.[CH3:34][O:35][C:36]([C:38]1[CH:47]=[C:46]([OH:48])[C:45]2[C:40](=[C:41]([N+:55]([O-])=O)[CH:42]=[C:43]([C:49]3[CH:54]=[CH:53][CH:52]=[CH:51][CH:50]=3)[CH:44]=2)[N:39]=1)=[O:37]>>[CH3:34][O:35][C:36]([C:38]1[CH:47]=[C:46]([OH:48])[C:45]2[C:40](=[C:41]([NH2:55])[CH:42]=[C:43]([C:49]3[CH:50]=[CH:51][CH:52]=[CH:53][CH:54]=3)[CH:44]=2)[N:39]=1)=[O:37] | 2 |
CC=1SC(=CC1)C1=CC=CC=C1>BrN1C(CCC1=O)=O.C(C1=CC=CC=C1)(=O)OOC(C1=CC=CC=C1)=O.C(Cl)(Cl)(Cl)Cl>BrCC=1SC(=CC1)C1=CC=CC=C1 | 3 |
ClCC(=O)N.CNC(CC1=CC=CC=C1)=O>C1CCCO1.B.C1CCOC1>C1(=CC=CC=C1)C1CN(CCN1)C | 3 |
BrC1=C2CCCC2=C(C=2CCCC12)N=C=O.OC(C)(C)C1=CC(=NN1C)S(=O)(=O)N>C1CCCO1.[H-].[Na+]>BrC=1C=2CCCC2C(=C2CCCC12)NC(=O)NS(=O)(=O)C1=NN(C(=C1)C(C)(C)O)C | 3 |
[O:1]=[CH:2][C@@H:3]([C@H:5]([C@@H:7]([C@@H:9]([CH2:11][OH:12])[OH:10])[OH:8])[OH:6])[OH:4].S([O-])([O-])(=O)=O.[NH4+].[NH4+]>>[C@@H:11]1([OH:12])[C@@H:2]([OH:1])[C@H:3]([OH:4])[C@@H:5]([OH:6])[C@@H:7]([OH:8])[C@H:9]1[OH:10] | 1 |
Br[CH2:2][C@H:3]1[C@@H:13]2[C@H:4]1[C:5](=[O:16])[O:6][C:7]1[C:8]([F:15])=[CH:9][CH:10]=[C:11]([F:14])[C:12]=12.[OH-:17].[Na+]>O>[F:15][C:8]1[C:7]2[O:17][CH2:2][C@H:3]3[C@@H:4]([C:5]([OH:16])=[O:6])[C@H:13]3[C:12]=2[C:11]([F:14])=[CH:10][CH:9]=1 | 1 |
[CH2:1]([O:3][C:4]([C:6]1[NH:7][C:8]2[C:13]([CH:14]=1)=[CH:12][CH:11]=[CH:10][CH:9]=2)=[O:5])[CH3:2].[H-].[Na+].[C:17]1([S:23](Cl)(=[O:25])=[O:24])[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1.Cl>CN(C)C=O.O>[CH2:1]([O:3][C:4]([C:6]1[N:7]([S:23]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)(=[O:25])=[O:24])[C:8]2[C:13]([CH:14]=1)=[CH:12][CH:11]=[CH:10][CH:9]=2)=[O:5])[CH3:2] | 1 |
BrC=1C=C2C=C(C(=NC2=CC1F)NCC1=CC=C(C=C1)OC)/C=C/C(=O)NCC1CCCCC1>>BrC=1C=C2C=C(C(=NC2=CC1F)NCC1=CC=C(C=C1)OC)CCC(=O)NCC1CCCCC1 | 5 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][CH2:9][C:10]([O:12][CH3:13])=[O:11])=[CH:4][CH:3]=1.C([O-])([O-])=O.[K+].[K+].[CH2:20](Br)[CH:21]=[CH2:22]>CN(C=O)C.[I-].C([N+](CCCC)(CCCC)CCCC)CCC>[CH2:22]([O:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:8][CH2:9][C:10]([O:12][CH3:13])=[O:11])=[CH:6][CH:7]=1)[CH:21]=[CH2:20] | 2 |
C([O:3][C:4](=[O:23])[C:5]([O:15][C:16]1[CH:21]=[CH:20][C:19]([Cl:22])=[CH:18][CH:17]=1)([CH3:14])[CH2:6][C:7]1[CH:12]=[CH:11][C:10]([OH:13])=[CH:9][CH:8]=1)C.[CH3:24][C:25]1[O:29][C:28]([C:30]2[CH:35]=[CH:34][CH:33]=[C:32]([C:36]3[S:37][CH:38]=[CH:39][CH:40]=3)[CH:31]=2)=[N:27][C:26]=1[CH2:41][CH2:42]OS(C1C=CC(C)=CC=1)(=O)=O.C([O-])([O-])=O.[K+].[K+].[OH-].[Na+]>C(O)C>[Cl:22][C:19]1[CH:20]=[CH:21][C:16]([O:15][C:5]([CH3:14])([CH2:6][C:7]2[CH:8]=[CH:9][C:10]([O:13][CH2:42][CH2:41][C:26]3[N:27]=[C:28]([C:30]4[CH:35]=[CH:34][CH:33]=[C:32]([C:36]5[S:37][CH:38]=[CH:39][CH:40]=5)[CH:31]=4)[O:29][C:25]=3[CH3:24])=[CH:11][CH:12]=2)[C:4]([OH:3])=[O:23])=[CH:17][CH:18]=1 | 1 |
[Cl:1][C:2]1[N:3]=[CH:4][C:5]([C:8]([OH:10])=O)=[N:6][CH:7]=1.[CH:11]1([C@@H:14]([NH2:16])[CH3:15])[CH2:13][CH2:12]1.C(N(CC)C(C)C)(C)C>C(Cl)Cl>[Cl:1][C:2]1[N:3]=[CH:4][C:5]([C:8]([NH:16][C@H:14]([CH:11]2[CH2:13][CH2:12]2)[CH3:15])=[O:10])=[N:6][CH:7]=1 | 2 |
C(C)(C)(C)OC(=O)N1CC(CCC1)=O.BrC1=CC(=CC=2CC(OC21)C(=O)Cl)Cl>C1CCCO1.C(C)(C)[N-]C(C)C.[Li+].[Cl-].[NH4+]>BrC1=CC(=CC=2CC(OC21)C(=O)C2C(CN(CC2)C(=O)OC(C)(C)C)=O)Cl | 3 |
C[Si](C)(C)Cl.BrC1=C(C(=CC=C1)C=C[N+](=O)[O-])CC>>BrC=1C(=C(C=CC1)CCN)CC | 5 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([Cl:8])=[CH:4][C:3]=1[C:9](=[O:11])[CH3:10].[H-].[Na+].[C:14](=O)([O:18]CC)[O:15][CH2:16][CH3:17].Cl>O>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([Cl:8])=[CH:4][C:3]=1[C:9](=[O:11])[CH2:10][C:14]([O:15][CH2:16][CH3:17])=[O:18] | 1 |
ClC1=CC=C(N)C=C1.FC=1C=C2C(=CC=NC2=CC1)N1CCN(CC1)C(C(=O)O)CCC>>ClC1=CC=C(C=C1)NC(C(CCC)N1CCN(CC1)C1=CC=NC2=CC=C(C=C12)F)=O | 5 |
[BH4-].[Na+].[Cl:3][C:4]1[N:5]([C:15]2[CH:22]=[CH:21][CH:20]=[CH:19][C:16]=2[C:17]#[N:18])[C:6]2[C:11]([C:12]=1[CH:13]=[O:14])=[CH:10][CH:9]=[CH:8][CH:7]=2>C(Cl)Cl.CO.[NH4+].[Cl-]>[Cl:3][C:4]1[N:5]([C:15]2[CH:22]=[CH:21][CH:20]=[CH:19][C:16]=2[C:17]#[N:18])[C:6]2[C:11]([C:12]=1[CH2:13][OH:14])=[CH:10][CH:9]=[CH:8][CH:7]=2 | 1 |
C([O:3][C:4]([C:6]1[CH:10]=[C:9]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[NH:8][N:7]=1)=[O:5])C.CO.O.O[Li].O>C1COCC1>[C:11]1([C:9]2[NH:8][N:7]=[C:6]([C:4]([OH:5])=[O:3])[CH:10]=2)[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=1 | 1 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([N+:13]([O-])=O)=[C:6]([NH:8][CH2:9][C:10]([OH:12])=[O:11])[CH:7]=1>C(O)C.[Ni]>[NH2:13][C:5]1[CH:4]=[CH:3][C:2]([Cl:1])=[CH:7][C:6]=1[NH:8][CH2:9][C:10]([OH:12])=[O:11] | 1 |
CI.C(=S)=S.Cl.C(C)(C)(C)NS(=O)=O.NCC>CCN(CC)CC.CCO[H]>C(C)(C)(C)NS(=O)(=O)CCNC(SC)=S | 3 |
C(O[C:5]1C=C[CH:8]=[CH:7][C:6]=1[C:11]1[CH:16]=[CH:15][CH:14]=[C:13]([N:17]2[C:21]3[CH:22]=[CH:23][C:24]([C:26]#N)=[CH:25][C:20]=3[N:19]=[CH:18]2)[CH:12]=1)(C)C.[CH3:28][CH:29]([CH2:31][AlH]CC(C)C)C.C1C[O:40]CC1>>[CH3:8][C:7]1[CH:31]=[CH:29][CH:28]=[CH:5][C:6]=1[C:11]1[CH:16]=[CH:15][CH:14]=[C:13]([N:17]2[C:21]3[CH:20]=[CH:25][C:24]([CH:26]=[O:40])=[CH:23][C:22]=3[N:19]=[CH:18]2)[CH:12]=1 | 2 |
S(=O)(=O)(C)Cl.CS(=O)(=O)C1=CC=C(O1)CO>>ClCC=1OC(=CC1)S(=O)(=O)C | 5 |
CS(=O)(=O)C1=C(C=CC=C1)CN.C(C)(C)(C)OC(=O)N(C1=NC=CC2=CC(=CC=C12)NC(C(=O)O)C1=CC(=CC=C1)OC)C(=O)OC(C)(C)C>N(C)(C)C=O.ClCCl.C(C)(C)N(C(C)C)CC.Cl.CN(CCCN=C=NCC)C.ON1N=NC2=C1N=CC=C2>CS(=O)(=O)C1=C(CNC(C(C2=CC(=CC=C2)OC)NC=2C=C3C=CN=C(C3=CC2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)=O)C=CC=C1 | 3 |
[BH4-].[K+].C(C)OC([C@H]([C@H](O)C1=CC=C(C=C1)S(=O)(=O)C)N)=O>>N[C@@H]([C@H](O)C1=CC=C(C=C1)S(=O)(=O)C)CO | 5 |
[OH:1][CH2:2][C@@H:3]([O:8][CH3:9])[O:4][CH2:5][CH2:6][OH:7].[C:10]1([CH3:20])[CH:15]=[CH:14][C:13]([S:16](Cl)(=[O:18])=[O:17])=[CH:12][CH:11]=1>N1C=CC=CC=1>[C:10]1([CH3:20])[CH:15]=[CH:14][C:13]([S:16]([O:1][CH2:2][C@@H:3]([O:8][CH3:9])[O:4][CH2:5][CH2:6][O:7][S:16]([C:13]2[CH:14]=[CH:15][C:10]([CH3:20])=[CH:11][CH:12]=2)(=[O:18])=[O:17])(=[O:18])=[O:17])=[CH:12][CH:11]=1 | 1 |
FC(C=1C=C(C=NCC2=C(C=CC(=C2)C(F)(F)F)Cl)C=C(C1)C(F)(F)F)(F)F>>ClC1=C(CNCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C=C(C=C1)C(F)(F)F | 5 |
BrCCF.C(C)(=O)C=1C(=C(N(C1C)C1=C(C=C(C=C1)O)C)C)C(C)=O>>C(C)(=O)C=1C(=C(N(C1C)C1=C(C=C(C=C1)OCCF)C)C)C(C)=O | 5 |
ClC1=CC=C(C=C1)S(=O)(=O)NCCC1=CC(=C(OCC(=O)NCC(=O)OC)C=C1)F>CO[H].Cl.[OH-].[Na+]>ClC1=CC=C(C=C1)S(=O)(=O)NCCC1=CC(=C(OCC(=O)NCC(=O)O)C=C1)F | 3 |
FC1=NC=CC(=C1)C(F)(F)F>C1CCCO1.II.C(C)(C)[N-]C(C)C.[Li+].[Cl-].[NH4+]>FC1=NC=CC(=C1I)C(F)(F)F | 3 |
[NH2:1][C:2]1[CH:15]=[CH:14][C:13]2[NH:12][C:11]3[C:6](=[CH:7][C:8]([NH2:16])=[CH:9][CH:10]=3)[C:5](=[O:17])[C:4]=2[CH:3]=1.[Cl:18][CH2:19][CH2:20][C:21](Cl)=[O:22]>>[Cl:18][CH2:19][CH2:20][C:21]([NH:16][C:8]1[CH:9]=[CH:10][C:11]2[NH:12][C:13]3[C:4](=[CH:3][C:2]([NH:1][C:21](=[O:22])[CH2:20][CH2:19][Cl:18])=[CH:15][CH:14]=3)[C:5](=[O:17])[C:6]=2[CH:7]=1)=[O:22] | 1 |
[H-].[Na+].[CH3:3][O:4][C:5]1[CH:12]=[C:11]([O:13][CH3:14])[CH:10]=[CH:9][C:6]=1[CH2:7][OH:8].Cl[C:16]1[N:21]=[CH:20][N:19]=[C:18]([C:22]([NH:24][CH:25]([C:29]2[CH:34]=[CH:33][C:32]([O:35][C:36]([F:39])([F:38])[F:37])=[CH:31][CH:30]=2)[CH2:26][O:27][CH3:28])=[O:23])[CH:17]=1.O>CN(C)C=O>[CH3:3][O:4][C:5]1[CH:12]=[C:11]([O:13][CH3:14])[CH:10]=[CH:9][C:6]=1[CH2:7][O:8][C:16]1[N:21]=[CH:20][N:19]=[C:18]([C:22]([NH:24][CH:25]([C:29]2[CH:34]=[CH:33][C:32]([O:35][C:36]([F:39])([F:38])[F:37])=[CH:31][CH:30]=2)[CH2:26][O:27][CH3:28])=[O:23])[CH:17]=1 | 2 |
F[C:2]1[CH:3]=[CH:4][C:5]2[C:6]3[N:7]([N:25]=[C:26]([NH2:28])[N:27]=3)[C:8]([CH2:12][C:13]3[CH:18]=[CH:17][C:16]([O:19][CH3:20])=[C:15]([O:21][CH3:22])[C:14]=3[O:23][CH3:24])=[N:9][C:10]=2[CH:11]=1.O1C2C=CC(CC3N4N=C(N)N=C4C4C=CC(F)=CC=4N=3)=CC=2OC1.[OH:54][CH2:55][CH2:56][NH2:57]>>[NH2:28][C:26]1[N:27]=[C:6]2[N:7]([C:8]([CH2:12][C:13]3[CH:18]=[CH:17][C:16]([O:19][CH3:20])=[C:15]([O:21][CH3:22])[C:14]=3[O:23][CH3:24])=[N:9][C:10]3[CH:11]=[C:2]([NH:57][CH2:56][CH2:55][OH:54])[CH:3]=[CH:4][C:5]=32)[N:25]=1 | 1 |
[Li+].[CH3:2]C([N-]C(C)C)C.[C:9]([O:13][C:14](=[O:20])[CH2:15][CH2:16][C:17]([OH:19])=[O:18])([CH3:12])([CH3:11])[CH3:10].CI>C1COCC1>[C:9]([O:13][C:14](=[O:20])[CH:15]([CH3:2])[CH2:16][C:17]([OH:19])=[O:18])([CH3:12])([CH3:10])[CH3:11] | 1 |
ClC1=C(C(=CC=C1)Cl)I.N1CC(C1)C1=CC(=C(CN2CCC(CC2)C(=O)OC)C(=C1)C)C#N>>C(#N)C1=C(CN2CCC(CC2)C(=O)OC)C(=CC(=C1)C1CN(C1)C1=C(C=CC=C1Cl)Cl)C | 5 |
Br[C:2]1[C:3]([F:23])=[C:4]([CH:20]=[CH:21][CH:22]=1)[C:5]([N:7]1[CH2:12][CH2:11][N:10]([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[CH2:9][CH2:8]1)=[O:6].C([Mg]Cl)C(C)C.CN(C)[CH:32]=[O:33].[Cl-].[NH4+]>O1CCCC1>[F:23][C:3]1[C:2]([CH:32]=[O:33])=[CH:22][CH:21]=[CH:20][C:4]=1[C:5]([N:7]1[CH2:12][CH2:11][N:10]([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[CH2:9][CH2:8]1)=[O:6] | 1 |
[F:1][C:2]1[CH:16]=[CH:15][C:5]([O:6][C:7]2[CH:8]=[C:9]([CH:12]=[CH:13][CH:14]=2)[CH:10]=[O:11])=[CH:4][CH:3]=1.[CH:17]([C:19]([CH3:21])=[O:20])=[CH2:18].C(N(CC)CC)C>C(O)C>[F:1][C:2]1[CH:16]=[CH:15][C:5]([O:6][C:7]2[CH:8]=[C:9]([C:10](=[O:11])[CH2:18][CH2:17][C:19](=[O:20])[CH3:21])[CH:12]=[CH:13][CH:14]=2)=[CH:4][CH:3]=1 | 1 |
[Cl:1][C:2]1[CH:22]=[C:21]([N+:23]([O-])=O)[CH:20]=[CH:19][C:3]=1[O:4][C:5]1[CH:18]=[CH:17][C:8]([C:9]([NH:11][CH2:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:10])=[CH:7][CH:6]=1.[Cl-].[Ca+2].[Cl-].O>C(O)C>[NH2:23][C:21]1[CH:20]=[CH:19][C:3]([O:4][C:5]2[CH:18]=[CH:17][C:8]([C:9]([NH:11][CH2:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:10])=[CH:7][CH:6]=2)=[C:2]([Cl:1])[CH:22]=1 | 2 |
[O:1]1[CH:5]=[CH:4][C:3](B2OC(C)(C)C(C)(C)O2)=[CH:2]1.Br[C:16]1[C:24]2[N:23]=[C:22]([C:25]3([C:38]#[N:39])[CH2:30][CH2:29][N:28]([C:31]([O:33][C:34]([CH3:37])([CH3:36])[CH3:35])=[O:32])[CH2:27][CH2:26]3)[N:21]([S:40](=[O:45])(=[O:44])[N:41]([CH3:43])[CH3:42])[C:20]=2[CH:19]=[C:18]([Cl:46])[CH:17]=1>>[Cl:46][C:18]1[CH:17]=[C:16]([C:3]2[CH:4]=[CH:5][O:1][CH:2]=2)[C:24]2[N:23]=[C:22]([C:25]3([C:38]#[N:39])[CH2:26][CH2:27][N:28]([C:31]([O:33][C:34]([CH3:37])([CH3:36])[CH3:35])=[O:32])[CH2:29][CH2:30]3)[N:21]([S:40](=[O:45])(=[O:44])[N:41]([CH3:43])[CH3:42])[C:20]=2[CH:19]=1 | 2 |
FC=1C(=CC(=NC1)N)C.BrC1=NC(=CC(=C1)C)Br>>BrC1=CC(=CC(=N1)NC1=NC=C(C(=C1)C)F)C | 5 |
[F:1][C:2]1[CH:3]=[C:4]([N:8]2[C@@:12]3([CH2:17][CH2:16][NH:15][C@@H:14]([CH3:18])[CH2:13]3)[CH:11]=[CH:10][S:9]2(=[O:20])=[O:19])[CH:5]=[CH:6][CH:7]=1.[F:21]C1C=C(C=CC=1F)N>>[F:1][C:2]1[CH:3]=[C:4]([N:8]2[C@@:12]3([CH2:17][CH2:16][NH:15][C@@H:14]([CH3:18])[CH2:13]3)[CH:11]=[CH:10][S:9]2(=[O:20])=[O:19])[CH:5]=[CH:6][C:7]=1[F:21] | 2 |
NC1=C(C=CC(=C1)Cl)O.ClC=1C=C(C(=O)Cl)C=C(C1)Cl>>ClC=1C=CC(=C(C1)NC(C1=CC(=CC(=C1)Cl)Cl)=O)O | 5 |
[C:1]([O:5][C:6]([N:8]1[CH2:12][CH2:11][CH2:10][C@H:9]1[CH:13]1[O:15][CH2:14]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[F:16][C:17]1[CH:22]=[CH:21][C:20]([OH:23])=[CH:19][CH:18]=1>>[C:1]([O:5][C:6]([N:8]1[CH2:12][CH2:11][CH2:10][C@H:9]1[CH:13]([OH:15])[CH2:14][O:23][C:20]1[CH:21]=[CH:22][C:17]([F:16])=[CH:18][CH:19]=1)=[O:7])([CH3:2])([CH3:3])[CH3:4] | 1 |
[CH:1]1[CH:2]=[CH:3][N:4]2[CH2:10][C:9]3[CH:11]=[CH:12][CH:13]=[CH:14][C:8]=3[NH:7][CH2:6][C:5]=12.C(N(CC)CC)C.[CH2:22]([O:25][C:26]1[CH:31]=[CH:30][C:29]([C:32]2[CH:37]=[CH:36][C:35]([C:38](Cl)=[O:39])=[CH:34][CH:33]=2)=[CH:28][CH:27]=1)[CH:23]=[CH2:24]>C(Cl)Cl.C(Cl)(Cl)Cl>[CH2:22]([O:25][C:26]1[CH:31]=[CH:30][C:29]([C:32]2[CH:33]=[CH:34][C:35]([C:38]([N:7]3[C:8]4[CH:14]=[CH:13][CH:12]=[CH:11][C:9]=4[CH2:10][N:4]4[CH:3]=[CH:2][CH:1]=[C:5]4[CH2:6]3)=[O:39])=[CH:36][CH:37]=2)=[CH:28][CH:27]=1)[CH:23]=[CH2:24] | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:12][CH2:11][CH2:10][CH:9]1[C:13](O)=O)=[O:7])([CH3:4])([CH3:3])[CH3:2].CN1CCOCC1.Cl[C:24]([O:26][CH2:27]C(C)C)=[O:25].[N+](=C)=[N-]>C1COCC1>[C:1]([O:5][C:6]([N:8]1[CH2:12][CH2:11][CH2:10][CH:9]1[CH2:13][C:24]([O:26][CH3:27])=[O:25])=[O:7])([CH3:2])([CH3:3])[CH3:4] | 1 |
[ClH:1].[Cl:2][C:3]1[CH:4]=[C:5](/[CH:23]=[C:24](\[F:35])/[C:25]([NH:27][O:28]C2CCCCO2)=[O:26])[CH:6]=[N:7][C:8]=1[NH:9][C@@H:10]1[CH2:15][CH2:14][CH2:13][N:12]([CH2:16][CH:17]2[CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]2)[CH2:11]1.CCOC(C)=O>CCO>[ClH:2].[ClH:1].[Cl:2][C:3]1[CH:4]=[C:5](/[CH:23]=[C:24](\[F:35])/[C:25]([NH:27][OH:28])=[O:26])[CH:6]=[N:7][C:8]=1[NH:9][C@@H:10]1[CH2:15][CH2:14][CH2:13][N:12]([CH2:16][CH:17]2[CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]2)[CH2:11]1 | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8](=O)[CH2:9][C:10](=O)[C:11]([F:14])([F:13])[F:12])=[CH:4][C:3]=1[CH3:17].[NH2:18][C:19]1[C:23]([C:24]2[CH:29]=[C:28]([CH3:30])[N:27]=[C:26]([CH3:31])[CH:25]=2)=[CH:22][NH:21][N:20]=1>>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:9]=[C:10]([C:11]([F:14])([F:13])[F:12])[N:20]3[N:21]=[CH:22][C:23]([C:24]4[CH:29]=[C:28]([CH3:30])[N:27]=[C:26]([CH3:31])[CH:25]=4)=[C:19]3[N:18]=2)=[CH:4][C:3]=1[CH3:17] | 1 |
[Cl:1][C:2]1[C:10]([CH3:11])=[N:9][C:8]2[N:4]([N:5]=[C:6]3[CH2:14][N:13]([C:15]([C:17]4[CH:22]=[CH:21][C:20]([F:23])=[CH:19][C:18]=4[O:24][CH:25]4[CH2:30][CH2:29][NH:28][CH2:27][CH2:26]4)=[O:16])[CH2:12][C:7]3=2)[C:3]=1[CH3:31].C=O.[C:34](O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>ClCCCl>[Cl:1][C:2]1[C:10]([CH3:11])=[N:9][C:8]2[N:4]([N:5]=[C:6]3[CH2:14][N:13]([C:15]([C:17]4[CH:22]=[CH:21][C:20]([F:23])=[CH:19][C:18]=4[O:24][CH:25]4[CH2:30][CH2:29][N:28]([CH3:34])[CH2:27][CH2:26]4)=[O:16])[CH2:12][C:7]3=2)[C:3]=1[CH3:31] | 1 |
[Br:1]Br.[F:3][C:4]([F:22])([F:21])[O:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=1[C:12]1[CH:17]=[CH:16][CH:15]=[C:14]([C:18](=[O:20])[CH3:19])[CH:13]=1>CO.Br>[Br:1][CH2:19][C:18]([C:14]1[CH:13]=[C:12]([C:7]2[CH:8]=[CH:9][CH:10]=[CH:11][C:6]=2[O:5][C:4]([F:21])([F:22])[F:3])[CH:17]=[CH:16][CH:15]=1)=[O:20] | 2 |
[F:1][C:2]1[CH:3]=[C:4]([CH2:9][C:10]([NH:12][C@H:13]([C:15]([OH:17])=O)[CH3:14])=[O:11])[CH:5]=[C:6]([F:8])[CH:7]=1.[CH3:18][O:19][C:20](=[O:35])[C@H:21]([CH2:30][CH2:31][CH2:32][CH2:33][NH2:34])[NH:22][C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24]>>[CH3:18][O:19][C:20](=[O:35])[C@H:21]([CH2:30][CH2:31][CH2:32][CH2:33][NH2:34])[N:22]([C:15](=[O:17])[C@H:13]([CH3:14])[NH:12][C:10](=[O:11])[CH2:9][C:4]1[CH:5]=[C:6]([F:8])[CH:7]=[C:2]([F:1])[CH:3]=1)[C:23]([O:25][C:26]([CH3:29])([CH3:27])[CH3:28])=[O:24] | 1 |
[NH2:1][C:2]1[CH:3]=[C:4]([CH:21]=[CH:22][C:23]=1[F:24])[O:5][C:6]1[N:11]=[C:10]2[S:12][C:13]([NH:15][C:16]([CH:18]3[CH2:20][CH2:19]3)=[O:17])=[N:14][C:9]2=[CH:8][CH:7]=1.[N:25]([C:28]1[CH:33]=[CH:32][C:31]([O:34][C:35]([F:38])([F:37])[F:36])=[CH:30][CH:29]=1)=[C:26]=[O:27]>N1C=CC=CC=1.C(OCC)(=O)C.O1CCCC1.CCCCCC>[F:24][C:23]1[CH:22]=[CH:21][C:4]([O:5][C:6]2[N:11]=[C:10]3[S:12][C:13]([NH:15][C:16]([CH:18]4[CH2:20][CH2:19]4)=[O:17])=[N:14][C:9]3=[CH:8][CH:7]=2)=[CH:3][C:2]=1[NH:1][C:26](=[O:27])[NH:25][C:28]1[CH:33]=[CH:32][C:31]([O:34][C:35]([F:36])([F:38])[F:37])=[CH:30][CH:29]=1 | 1 |
C(C)OC(COC1=CC(=CC=C1)CCN(C(=O)NC1=C(C=C(C=C1)OC)OC)CCCCCCC)=O>>COC1=C(C=CC(=C1)OC)NC(N(CCCCCCC)CCC=1C=C(OCC(=O)O)C=CC1)=O | 5 |
C(C)(C)(C)OC(=O)N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C.BrC1=C2C=CC(=CC2=CC=C1)C(=O)N>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].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]>NC(=O)C=1C=C2C=CC=C(C2=CC1)C=1CCN(CC1)C(=O)OC(C)(C)C | 3 |
O=C1N(C(C2=CC=CC=C12)=O)CC1=CC(=CC(=N1)C(=O)OCC)C(F)(F)F>CCO[H].Cl.C(C)(=O)OC(C)=O.O.NN.C(=O)O>NCC1=CC(=CC(=N1)C(=O)OCC)C(F)(F)F | 3 |
[C:1]([OH:9])(=[O:8])[C:2]([CH2:4][C:5]([OH:7])=[O:6])=[CH2:3].C(O)(C)C>O1CCCC1>[CH3:3][CH:2]([CH2:4][C:5]([OH:7])=[O:6])[C:1]([OH:9])=[O:8] | 1 |
C(C)(=O)OC(C(=O)Cl)(C)C.Br.ClC=1C(=C(C=CC1)C[C@@H]1NC[C@@H]([C@@H]1NS(=O)(=O)C)F)F>O.C1CCCO1.[HH].C(C)(C)N(C(C)C)CC.[OH-].[Li+].C(O)([O-])=O.[Na+]>ClC=1C(=C(C=CC1)C[C@@H]1N(C[C@@H]([C@@H]1NS(=O)(=O)C)F)C(C(C)(C)O)=O)F | 3 |
C(C1=CC=CC=C1)(=O)N=C=S.FC(CN)(F)F>>C(C1=CC=CC=C1)(=O)NC(=S)NCC(F)(F)F | 5 |
FC(F)(F)S(O[C:7]1[CH:16]=[CH:15][C:14]2[C:9](=[CH:10][CH:11]=[C:12]([C:17]([OH:45])([C:21]3[N:22]=[CH:23][N:24](C(C4C=CC=CC=4)(C4C=CC=CC=4)C4C=CC=CC=4)[CH:25]=3)[CH:18]([CH3:20])[CH3:19])[CH:13]=2)[CH:8]=1)(=O)=O.C([Sn](CCCC)(CCCC)[C:53]1[O:54][CH:55]=[CH:56][CH:57]=1)CCC.[Cl-].[Li+]>CN(C=O)C.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>[O:54]1[CH:55]=[CH:56][CH:57]=[C:53]1[C:7]1[CH:8]=[C:9]2[C:14](=[CH:15][CH:16]=1)[CH:13]=[C:12]([C:17]([C:21]1[N:22]=[CH:23][NH:24][CH:25]=1)([OH:45])[CH:18]([CH3:20])[CH3:19])[CH:11]=[CH:10]2 | 1 |
[N+](=O)([O-])C1=CC=C(CBr)C=C1.CS(=O)O.[Na]>CCO[H]>[N+](=O)([O-])C1=CC=C(CS(=O)(=O)C)C=C1 | 3 |
[Br:1][C:2]1[CH:3]=[C:4]2[CH2:16][CH2:15][CH:14]([C:17](O)=[O:18])[N:6]3[C:7](=[O:13])[C:8](=[O:12])[NH:9][C:10]([CH:11]=1)=[C:5]23.[CH2:20]([NH2:27])[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1>>[Br:1][C:2]1[CH:3]=[C:4]2[CH2:16][CH2:15][CH:14]([C:17](=[O:18])[NH:27][CH2:20][C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=3)[N:6]3[C:7](=[O:13])[C:8](=[O:12])[NH:9][C:10]([CH:11]=1)=[C:5]23 | 1 |
CN(C)C=C1SCCC2=C(C1=O)C=CC(=C2)N2C(O[C@H](C2)CNC(C)=O)=O>>N1N=CC=2SCCC3=C(C12)C=CC(=C3)N3C(O[C@H](C3)CNC(C)=O)=O | 5 |
[SH:1][C:2]1[S:6][C:5]([S:7][CH2:8][N:9]2[C:19](=[O:20])[C:18]3[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=3)[S:10]2(=[O:12])=[O:11])=[N:4][N:3]=1.Cl.[CH3:22][N:23]([CH3:27])[CH2:24][CH2:25]Cl.C(N(CC)CC)C.C(OCC)(=O)C>CN(C=O)C>[CH3:22][N:23]([CH2:24][CH2:25][S:1][C:2]1[S:6][C:5]([S:7][CH2:8][N:9]2[C:19](=[O:20])[C:18]3[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=3)[S:10]2(=[O:12])=[O:11])=[N:4][N:3]=1)[CH3:27] | 1 |
[F:1][C:2]([F:12])([F:11])[C:3]1[CH:4]=[C:5]([NH2:10])[C:6]([NH2:9])=[N:7][CH:8]=1.[C:13](OCC)(=[O:19])[C:14](OCC)=[O:15]>CCOCC>[F:12][C:2]([F:1])([F:11])[C:3]1[CH:8]=[N:7][C:6]2=[N:9][C:13]([OH:19])=[C:14]([OH:15])[N:10]=[C:5]2[CH:4]=1 | 2 |
[CH3:1][C:2]1[N:3]=[C:4]([NH:8][C:9](=[O:17])OC2C=CC=CC=2)[S:5][C:6]=1[CH3:7].[F:18][C:19]([F:39])([F:38])[CH:20]1[CH2:25][CH2:24][CH2:23][CH:22]([C:26]2[CH:27]=[CH:28][C:29]3[N:35]4[CH2:36][C@H:32]([CH2:33][CH2:34]4)[NH:31][C:30]=3[N:37]=2)[CH2:21]1>CN(C1C=CN=CC=1)C.C(#N)C>[CH3:1][C:2]1[N:3]=[C:4]([NH:8][C:9]([N:31]2[C@@H:32]3[CH2:36][N:35]([CH2:34][CH2:33]3)[C:29]3[CH:28]=[CH:27][C:26]([CH:22]4[CH2:23][CH2:24][CH2:25][CH:20]([C:19]([F:18])([F:38])[F:39])[CH2:21]4)=[N:37][C:30]2=3)=[O:17])[S:5][C:6]=1[CH3:7] | 2 |
C(=O)O.C(=O)O.NC1=NC(=CC(=N1)N1CC(CC1)NC(OC(C)(C)C)=O)C1CCCC1>>NC1CN(CC1)C1=NC(=NC(=C1)C1CCCC1)N | 5 |
C(C1=CC=CC=C1)OC1=NC(=CC=C1C1=C(C=C(C=C1F)N1CCC(CC1)CC(=O)OCC)F)OCC1=CC=CC=C1>O.C1CCCO1.CCO[H].[OH-].[Na+]>C(C1=CC=CC=C1)OC1=NC(=CC=C1C1=C(C=C(C=C1F)N1CCC(CC1)CC(=O)O)F)OCC1=CC=CC=C1 | 3 |
C([O:4][C:5]1[CH:31]=[CH:30][C:8]([C:9]([C:11]2[CH:29]=[CH:28][C:14]([CH2:15][S:16][C:17]3[N:18]([CH3:27])[C:19](=[O:26])[C:20]4[S:25][CH:24]=[CH:23][C:21]=4[N:22]=3)=[CH:13][CH:12]=2)=[O:10])=[CH:7][CH:6]=1)(=O)C.[OH-].[Na+].O>C1COCC1>[OH:4][C:5]1[CH:31]=[CH:30][C:8]([C:9]([C:11]2[CH:29]=[CH:28][C:14]([CH2:15][S:16][C:17]3[N:18]([CH3:27])[C:19](=[O:26])[C:20]4[S:25][CH:24]=[CH:23][C:21]=4[N:22]=3)=[CH:13][CH:12]=2)=[O:10])=[CH:7][CH:6]=1 | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C@H:8]2[C@H:13]([OH:14])[C@@H:12]([OH:15])[C@H:11]([OH:16])[C@@H:10]([CH2:17][OH:18])[O:9]2)=[CH:4][C:3]=1[CH2:19][C:20]1[S:21][C:22]([C:25]2[CH:29]=[CH:28][S:27][CH:26]=2)=[CH:23][N:24]=1.Cl[C:31]([O:33][CH2:34][CH2:35][CH2:36][CH3:37])=[O:32]>N1C(C)=CC=CC=1C>[C:31](=[O:32])([O:18][CH2:17][C@@H:10]1[C@@H:11]([OH:16])[C@H:12]([OH:15])[C@@H:13]([OH:14])[C@H:8]([C:5]2[CH:6]=[CH:7][C:2]([Cl:1])=[C:3]([CH2:19][C:20]3[S:21][C:22]([C:25]4[CH:29]=[CH:28][S:27][CH:26]=4)=[CH:23][N:24]=3)[CH:4]=2)[O:9]1)[O:33][CH2:34][CH2:35][CH2:36][CH3:37] | 1 |
[CH3:1][C:2]1[CH:7]=[CH:6][N:5]=[CH:4][C:3]=1[N:8]1[CH2:12][CH2:11][NH:10][C:9]1=[O:13].Br[C:15]1[CH:16]=[C:17]2[C:21](=[CH:22][CH:23]=1)[CH2:20][CH2:19][CH2:18]2.N[C@@H]1CCCC[C@H]1N.P([O-])([O-])([O-])=O.[K+].[K+].[K+]>[Cu](I)I.O1CCOCC1>[CH2:20]1[C:21]2[C:17](=[CH:16][C:15]([N:10]3[CH2:11][CH2:12][N:8]([C:3]4[CH:4]=[N:5][CH:6]=[CH:7][C:2]=4[CH3:1])[C:9]3=[O:13])=[CH:23][CH:22]=2)[CH2:18][CH2:19]1 | 1 |
[CH3:1][C:2]1[CH:3]=[C:4]([N:9]([CH2:24][CH2:25][C:26]2[CH:31]=[CH:30][C:29]([CH3:32])=[CH:28][CH:27]=2)[C:10]([CH:12](OS(C)(=O)=O)[C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)=[O:11])[CH:5]=[CH:6][C:7]=1[CH3:8].[NH:33]1[CH2:36][CH:35]([OH:37])[CH2:34]1>>[CH3:1][C:2]1[CH:3]=[C:4]([N:9]([CH2:24][CH2:25][C:26]2[CH:27]=[CH:28][C:29]([CH3:32])=[CH:30][CH:31]=2)[C:10](=[O:11])[CH:12]([N:33]2[CH2:36][CH:35]([OH:37])[CH2:34]2)[C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[CH:5]=[CH:6][C:7]=1[CH3:8] | 2 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:8]2[N:9]=[C:10]([N:16]3[C:20]4[CH:21]=[C:22]([CH2:25][CH2:26][CH2:27][CH2:28][N:29]5[CH2:34][CH2:33][O:32][CH2:31][CH2:30]5)[CH:23]=[CH:24][C:19]=4[N:18]=[CH:17]3)[S:11][C:12]=2[C:13](O)=[O:14])[CH:5]=[CH:6][CH:7]=1.C[N:36](C(N(C)C)=[N+]1C2C(=NC=CC=2)N=N1)C.F[P-](F)(F)(F)(F)F.[Cl-].[NH4+].C(N(C(C)C)C(C)C)C>CN(C)C=O>[Cl:1][C:2]1[CH:3]=[C:4]([C:8]2[N:9]=[C:10]([N:16]3[C:20]4[CH:21]=[C:22]([CH2:25][CH2:26][CH2:27][CH2:28][N:29]5[CH2:30][CH2:31][O:32][CH2:33][CH2:34]5)[CH:23]=[CH:24][C:19]=4[N:18]=[CH:17]3)[S:11][C:12]=2[C:13]([NH2:36])=[O:14])[CH:5]=[CH:6][CH:7]=1 | 1 |
C(C)[Si](CC)(CC)Cl.C[C@@]1(OC1)C=1C=NC=CC1.N[C@@H](CC1=CNC2=C(C=CC=C12)C(=O)OC)C>>N1=CC(=CC=C1)[C@H](CN[C@@H](CC1=CNC2=C(C=CC=C12)C(=O)OC)C)O[Si](CC)(CC)CC | 5 |
OC=1C(=CC(=NC1)OC)C1C(N(C2=CC=CC=C12)CC=1OC(=CC1)C(F)(F)F)=O>C1CCCO1.C=O.C(CCC)[Li].C(C)(C)NC(C)C.CCCCCC.CCCC(C)C.CCC(C)CC>OC=1C(=CC(=NC1)OC)C1(C(N(C2=CC=CC=C12)CC=1OC(=CC1)C(F)(F)F)=O)CO | 3 |
[I-].C(#N)C[P+](C)(C)C.C(C)[C@@H]1N(C[C@H](NC1)CC)C=1C=2N(N(C(C1)=O)C)C=C(N2)CC#N.C1(CC1)C=1SC2=NC(=CC=C2N1)C(C)O>CC#N.C(C)(C)N(C(C)C)CC>C1(CC1)C=1SC2=NC(=CC=C2N1)C(C)N1C[C@@H](N(C[C@H]1CC)C=1C=2N(N(C(C1)=O)C)C=C(N2)CC#N)CC | 3 |
COCCBr.O.Cl.N1CCC(CC1)=O>>COCCN1CCC(CC1)=O | 5 |
O(CC[Br:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:11]1([P:17]([C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)[C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[CH:16]=CC=CC=1.C1(O)C=CC=CC=1.[NH:37]1[CH2:41][CH2:40][CH2:39][CH2:38]1>CS(C)=O>[Br-:10].[N:37]1([CH2:16][CH2:11][P+:17]([C:2]2[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=2)([C:18]2[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=2)[C:24]2[CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=2)[CH2:41][CH2:40][CH2:39][CH2:38]1 | 1 |
C(#N)C=1C=NN2C1C(=CC(=C2)C=2C=NN(C2)C)C=2C=CC(=NC2)N2CCC(CC2)CC(=O)O>C(C)(C)N(C(C)C)CC.C(C)(C)N.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(#N)C=1C=NN2C1C(=CC(=C2)C=2C=NN(C2)C)C=2C=CC(=NC2)N2CCC(CC2)CC(=O)NC(C)C | 3 |
[H-].[Al+3].[Li+].[H-].[H-].[H-].[CH2:7]([N:14]1[C:18]([CH2:19][CH2:20][CH3:21])=[C:17]([C:22](OCC)=[O:23])[CH:16]=[N:15]1)[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1.O.O.O.O.O.O.O.O.O.O.S([O-])([O-])(=O)=O.[Na+].[Na+].CCCCCC>O1CCCC1>[CH2:7]([N:14]1[C:18]([CH2:19][CH2:20][CH3:21])=[C:17]([CH2:22][OH:23])[CH:16]=[N:15]1)[C:8]1[CH:9]=[CH:10][CH:11]=[CH:12][CH:13]=1 | 1 |
BrC=1C=C2C=CC=NC2=CC1>O(O[H])[H].O.C(C)(=O)O>BrC=1C=C2C=CC=[N+](C2=CC1)[O-] | 3 |
ClC1=C(C=CC=C1)S(=O)(=O)NC=1C=CC(=C(OC2=NC=CC=C2C2=NC(=NC=C2)N[C@@H]2CN(CCC2)C(=O)OC(C)(C)C)C1)C>Cl.O1CCOCC1>Cl.ClC1=C(C=CC=C1)S(=O)(=O)NC1=CC(=C(C=C1)C)OC1=NC=CC=C1C1=NC(=NC=C1)N[C@@H]1CNCCC1 | 3 |
N1N=C(C2=CC=CC=C12)C=O.O=C1COC2=C1C=CC=C2CN2CCN(CC2)C(=O)OC(C)(C)C>>N1N=C(C2=CC=CC=C12)\C=C\1/OC2=C(C1=O)C=CC=C2CN2CCN(CC2)C(=O)OC(C)(C)C | 5 |
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