smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[F:1][C:2]1[CH:9]=[CH:8][C:7]([O:10][C:11]([F:14])([F:13])[F:12])=[CH:6][C:3]=1[CH:4]=O.Cl.[NH2:16][OH:17].C([O-])(=O)C.[Na+]>C(O)C>[F:1][C:2]1[CH:9]=[CH:8][C:7]([O:10][C:11]([F:14])([F:13])[F:12])=[CH:6][C:3]=1/[CH:4]=[N:16]/[OH:17] | 1 |
CI.O1COC2=C1C=CC(=C2)C(C2CCN(CC2)C(=O)OC(C)(C)C)(O)C2=CC1=C(OCO1)C=C2>C1CCCO1.[H-].[Na+].[Cl-].[NH4+]>O1COC2=C1C=CC(=C2)C(C2CCN(CC2)C(=O)OC(C)(C)C)(OC)C2=CC1=C(OCO1)C=C2 | 3 |
[OH:1][CH2:2][CH2:3][S:4]([C:7]1[CH:8]=[C:9]([CH:12]=[C:13]([O:19][CH3:20])[C:14]=1[O:15][CH2:16][CH2:17][CH3:18])[CH:10]=O)(=[O:6])=[O:5].[CH3:21][O:22][C:23]1[CH:24]=[C:25]([CH:35]([SH:38])[CH2:36][SH:37])[CH:26]=[C:27]([O:33][CH3:34])[C:28]=1[O:29][CH2:30]OC.C1(C)C=CC(S([O-])(=O)=O)=CC=1.[NH+]1C=CC=CC=1.C1C=CC=CC=1>C1C=CC=CC=1.O>[OH:1][CH2:2][CH2:3][S:4]([C:7]1[CH:8]=[C:9]([C@H:10]2[S:38][C@H:35]([C:25]3[CH:24]=[C:23]([O:22][CH3:21])[C:28]([O:29][CH3:30])=[C:27]([O:33][CH3:34])[CH:26]=3)[CH2:36][S:37]2)[CH:12]=[C:13]([O:19][CH3:20])[C:14]=1[O:15][CH2:16][CH2:17][CH3:18])(=[O:6])=[O:5] | 1 |
C(C1=CC=CC=C1)N1C(CN(CC1)CC1=CC=CC=C1)C(=O)OCC>>C1(=CC=CC=C1)CN1C(CN(CC1)CC1=CC=CC=C1)C=O | 5 |
FC1=NC=C(C(=C1)B(O)O)F.ClC1=CN=CC(=N1)OCC1(CCOCC1)C#N>C([O-])([O-])=O.[Na+].[Na+].COCCOC.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]>FC1=NC=C(C(=C1)C1=CN=CC(=N1)OCC1(CCOCC1)C#N)F | 3 |
[NH2:1][C:2]1[N:3]=[C:4]2[CH:9]=[CH:8][C:7]([O:10][C:11]3[CH:12]=[C:13]([NH:17][C:18](=[O:29])[C:19]4[CH:24]=[CH:23][CH:22]=[C:21]([C:25]([F:28])([F:27])[F:26])[CH:20]=4)[CH:14]=[CH:15][CH:16]=3)=[N:6][N:5]2[CH:30]=1.[CH3:31][CH:32]([CH3:36])[C:33](O)=[O:34].Cl.CN(C)CCCN=C=NCC.ON1C2C=CC=CC=2N=N1.C(N(CC)CC)C>CN(C)C=O>[C:33]([NH:1][C:2]1[N:3]=[C:4]2[CH:9]=[CH:8][C:7]([O:10][C:11]3[CH:12]=[C:13]([NH:17][C:18](=[O:29])[C:19]4[CH:24]=[CH:23][CH:22]=[C:21]([C:25]([F:28])([F:27])[F:26])[CH:20]=4)[CH:14]=[CH:15][CH:16]=3)=[N:6][N:5]2[CH:30]=1)(=[O:34])[CH:32]([CH3:36])[CH3:31] | 1 |
Cl.NC1=NC(=CC=C1C(C(F)(F)F)=O)NC1CNCCC1.ClC=1C=2N(C=C(N1)C1=C(C=C(C=C1)F)F)N=CN2>CS(=O)C.C(C)(C)N(C(C)C)CC>NC1=NC(=CC=C1C(C(F)(F)F)=O)NC1CN(CCC1)C=1C=2N(C=C(N1)C1=C(C=C(C=C1)F)F)N=CN2 | 3 |
COCCC(=O)O.NC1=CC=C(C=C1)N1N=CC=2C1=NC=NC2N>N(C)(C)C=O.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>NC1=C2C(=NC=N1)N(N=C2)C2=CC=C(C=C2)NC(CCOC)=O | 3 |
[Br:1][C:2]1[CH:7]=[C:6]([O:8][CH3:9])[C:5]([O:10][CH3:11])=[CH:4][C:3]=1[CH2:12][C:13]([O:15][CH3:16])=[O:14].[Li+].C[Si]([N-][Si](C)(C)C)(C)C.[NH4+].[Cl-].O.[CH2:30]1[CH2:34]OC[CH2:31]1>>[Br:1][C:2]1[CH:7]=[C:6]([O:8][CH3:9])[C:5]([O:10][CH3:11])=[CH:4][C:3]=1[CH:12]([CH2:34][CH:30]=[CH2:31])[C:13]([O:15][CH3:16])=[O:14] | 2 |
C(=O)(O)C1=CC=C(C=C1)NC(NN)=S.C(C)(C)(C)C1=CC=C(C=C1)C=1SC=C(C1O)C=O>>C(C)(C)(C)C1=CC=C(C=C1)C1=C(C(=CS1)C=NNC(=S)NC1=CC=C(C(=O)O)C=C1)O | 5 |
C1(CCC1)N.ClCCOC1=CC=C2C(=CN(C(C2=C1)=O)C=1C=C(C(=O)O)C=CC1C)C>N(C)(C)C=O.ClCCl.C(C(=O)Cl)(=O)Cl.C(C)(C)N(C(C)C)CC>ClCCOC1=CC=C2C(=CN(C(C2=C1)=O)C=1C=C(C(=O)NC2CCC2)C=CC1C)C | 3 |
CN1CC(NCC1)=O.BrC=1C=2N(C=C(C1)C1CC1)C=C(N2)CN2C(C1=CC=CC=C1C2=O)=O>[Cu]I.C1(=CC=CC=C1)C.CN(CCN)C.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C1(CC1)C=1C=C(C=2N(C1)C=C(N2)CN2C(C1=CC=CC=C1C2=O)=O)N2C(CN(CC2)C)=O | 3 |
CN.ClC=1C(=CC(=NC1)N[C@H]1C[C@H](CC1)C=O)C1=NC(=CC=C1)NCC1=CC(=CC=C1)F>C1CCCO1.ClCCl.C(=O)(C(F)(F)F)O.CS(=O)C.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>ClC=1C(=CC(=NC1)N[C@H]1C[C@H](CC1)CNC)C1=NC(=CC=C1)NCC1=CC(=CC=C1)F | 3 |
[C:1]1([CH2:7][S:8](Cl)(=[O:10])=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[Br:12][C:13]1[CH:18]=[CH:17][C:16]([C@@H:19]([NH2:21])[CH3:20])=[CH:15][CH:14]=1.C(N(CC)CC)C>ClCCl>[Br:12][C:13]1[CH:18]=[CH:17][C:16]([C@@H:19]([NH:21][S:8]([CH2:7][C:1]2[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=2)(=[O:10])=[O:9])[CH3:20])=[CH:15][CH:14]=1 | 1 |
CS(=O)(=O)Cl.C(C)(C)(C)OC(=O)NC1CNCC1>>C(C)(C)(C)OC(NC1CN(CC1)S(=O)(=O)C)=O | 5 |
FC(CCC(=O)O)(F)F.[Br-].NC1=CC=C(C(=C1C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)Cl)C#N>>ClC1=C2C=C(NC2=CC=C1C#N)CCC(F)(F)F | 5 |
FC(C(=O)OC(C(F)F)=O)F.O1C(CCCC1)N1N=CC=C1[C@H]1[C@@H](CCCC1)N1CC2=NC=C(C=C2C1=O)C(=O)NN>C1CCCO1.C(C)(C)N(C(C)C)CC>FC(C1=NN=C(O1)C=1C=C2C(=NC1)CN(C2=O)[C@H]2[C@@H](CCCC2)C2=CC=NN2C2OCCCC2)F | 3 |
C(#N)C1=NC=CC=C1>CC#N.C1(=CC=CC=C1)C.CC(C)(C)[O-].[K+]>NC(=CC#N)C1=NC=CC=C1 | 3 |
ClC1=NSN=C1C1=C(C=C(C=C1)Cl)C>>BrCC1=C(C=CC(=C1)Cl)C1=NSN=C1Cl | 5 |
C[C@@]12C=CC(=O)CC2=CC[C@H]3[C@@H]4CC[C@@H]([C@@]4(C)CC[C@@H]31)[C@](C)(C5SCCCS5)OCOC>O.CO[H].[Na+].[BH4-].O.O.O.O.O.O.O.[Cl-].[Ce+3].[Cl-].[Cl-]>C[C@@]12C=C[C@@H](CC2=CC[C@H]3[C@@H]4CC[C@@H]([C@@]4(C)CC[C@@H]31)[C@](C)(C5SCCCS5)OCOC)O | 3 |
FC(CCSC=1OC=CN1)=C(F)F>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>FC(CCS(=O)C=1OC=CN1)=C(F)F | 3 |
Cl.CN.O1CCC(CC1)OC(=O)N1CCC2=NC=C(C=C21)C2=CC1=C(N=C(S1)N)C=C2>N(C)(C)C=O.CCN(CC)CC.C(=O)(C=1NC=CN1)C=1NC=CN1.C(O)([O-])=O.[Na+]>O1CCC(CC1)OC(=O)N1CCC2=NC=C(C=C21)C2=CC1=C(N=C(S1)NC(=O)NC)C=C2 | 3 |
FC(C1=CC(=NC(=C1)C(F)(F)F)N1[C@@H](CCC1)C(=O)O)(F)F.CNC=1C=CC2=C(C=CO2)C1>N(C)(C)C=O.ClCCl.CCN(CC)CC.C(C)(=O)OCC.C(C(=O)Cl)(=O)Cl>O1C=CC2=C1C=CC(=C2)N(C(=O)C2N(CCC2)C2=NC(=CC(=C2)C(F)(F)F)C(F)(F)F)C | 3 |
C1NCC12CC(C2)C#CC2=C(C=C1C(=NC=NC1=C2)NC2=CC(=C(C=C2)OCC2=NC=CC=C2)Cl)NC(C=C)=O>C=O.[Na+].[BH4-].FC(CO)(F)F>ClC=1C=C(C=CC1OCC1=NC=CC=C1)NC1=NC=NC2=CC(=C(C=C12)NC(C=C)=O)C#CC1CC2(CN(C2)C)C1 | 3 |
C(CS)(=O)OCC.ClC1=C(C2=C(OCC1)C=CC=C2)C=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C)OC(=O)C=1SC=2CCOC3=C(C2C1)C=CC=C3 | 3 |
[N:1]1[C:8](Cl)=[N:7][C:5]([Cl:6])=[N:4][C:2]=1[Cl:3].C1COCC1.[C:15]1([Mg]Br)[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.O>C1(C)C=CC=CC=1>[Cl:3][C:2]1[N:4]=[C:5]([Cl:6])[N:7]=[C:8]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[N:1]=1 | 2 |
NC(=NC(=O)C1=CC=2C(C3=C(C=CC=C3C2C=C1)CO)=O)N>c1ccncc1.Cl.NO>NC(=NC(=O)C1=CC=2C(C3=C(C=CC=C3C2C=C1)CO)=NO)N | 3 |
Cl.C(C)OC(=N)C1CC1.NC=1C(=C(C(=O)OC)C=C(C1)C=1C(=NOC1C)C)NC>CO[H].C>C1(CC1)C1=NC2=C(N1C)C(=CC(=C2)C=2C(=NOC2C)C)C(=O)OC | 3 |
C(C1[CH:8]=[CH:7][C:6]([CH:9]2[NH:13]C(=O)N[C:10]2=[O:15])=[C:5]([CH3:16])[CH:4]=1)#N.[C:17]([OH:20])(=[O:19])[CH3:18].[OH-:21].[Na+]>>[C:17]([C:18]1[CH:8]=[CH:7][C:6]([CH:9]([C:10]([OH:15])=[O:21])[NH2:13])=[C:5]([CH3:16])[CH:4]=1)([OH:20])=[O:19] | 1 |
[CH2:1]([O:11][C:12]1[CH:17]=[CH:16][C:15]([C:18]2[CH:23]=[CH:22][C:21]([C:24]#[C:25]C(O)(C)C)=[CH:20][CH:19]=2)=[CH:14][CH:13]=1)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH3:10].[OH-].[Na+]>C1(C)C=CC=CC=1>[CH2:1]([O:11][C:12]1[CH:13]=[CH:14][C:15]([C:18]2[CH:23]=[CH:22][C:21]([C:24]#[CH:25])=[CH:20][CH:19]=2)=[CH:16][CH:17]=1)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH3:10] | 1 |
ClC=1C=C2C(=CN1)N(C(=C2)B(O)O)C.IC=1C(=NC=CC1OC)C>O.O1CCOCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].Cl[Pd]Cl.C(C)(C)(C)P(C1=CC=C(N(C)C)C=C1)C(C)(C)C>ClC=1C=C2C(=CN1)N(C(=C2)C=2C(=NC=CC2OC)C)C | 3 |
C(#N)C12CCC(CC1)(CC2)NC(OC(C)(C)C)=O>O.Cl>Cl.NC12CCC(CC1)(CC2)C#N | 3 |
C[O:2][C:3](=[O:40])[CH2:4][O:5][C:6]1[CH:11]=[CH:10][C:9]([O:12][CH2:13][C:14]2[S:15][C:16]([C:29]3[CH:34]=[CH:33][C:32]([C:35]([F:38])([F:37])[F:36])=[CH:31][CH:30]=3)=[C:17]([C:19]3[CH:24]=[CH:23][C:22]([O:25][CH:26]([CH3:28])[CH3:27])=[CH:21][CH:20]=3)[N:18]=2)=[CH:8][C:7]=1[CH3:39].[Li+].[OH-].Cl.CCOC(C)=O>C1COCC1.O>[CH:26]([O:25][C:22]1[CH:21]=[CH:20][C:19]([C:17]2[N:18]=[C:14]([CH2:13][O:12][C:9]3[CH:10]=[CH:11][C:6]([O:5][CH2:4][C:3]([OH:40])=[O:2])=[C:7]([CH3:39])[CH:8]=3)[S:15][C:16]=2[C:29]2[CH:30]=[CH:31][C:32]([C:35]([F:38])([F:36])[F:37])=[CH:33][CH:34]=2)=[CH:24][CH:23]=1)([CH3:28])[CH3:27] | 2 |
BrCC(=C)C.OC=1C=C(C=CC1)CC(=O)OC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].[I-].C(CCC)[N+](CCCC)(CCCC)CCCC>CC(COC=1C=C(C=CC1)CC(=O)OC)=C | 3 |
[F:1][C:2]([F:18])([F:17])[C:3]([N:5]1[CH2:10][CH2:9][N:8]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[CH2:7][CH2:6]1)=[O:4].[Cl:19][S:20](O)(=[O:22])=[O:21]>>[F:18][C:2]([F:1])([F:17])[C:3]([N:5]1[CH2:6][CH2:7][N:8]([C:11]2[CH:16]=[CH:15][C:14]([S:20]([Cl:19])(=[O:22])=[O:21])=[CH:13][CH:12]=2)[CH2:9][CH2:10]1)=[O:4] | 1 |
[C:1]1([CH:7](Br)[C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[OH:15][CH:16]1[CH2:21][CH2:20][N:19]([CH2:22][CH2:23][CH2:24][O:25][C:26]2[CH:31]=[CH:30][C:29]([CH3:32])=[CH:28][C:27]=2[N+:33]([O-:35])=[O:34])[CH2:18][CH2:17]1.OC1CCN(CCCOC2C=CC=CC=2[N+]([O-])=O)CC1>>[C:1]1([CH:7]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[O:15][CH:16]2[CH2:17][CH2:18][N:19]([CH2:22][CH2:23][CH2:24][O:25][C:26]3[CH:31]=[CH:30][C:29]([CH3:32])=[CH:28][C:27]=3[N+:33]([O-:35])=[O:34])[CH2:20][CH2:21]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
C1(CC1)C1=NC(=CC(=C1)C1=CC(=C2C(=N1)N=C(N2)NC(=O)C2=CC=C(C=N2)CCC(=O)OCC)N(C)CC2(CCCC2)COC)C(F)(F)F>>C1(CC1)C1=NC(=CC(=C1)C1=CC(=C2C(=N1)N=C(N2)NC(=O)C2=CC=C(C=N2)CCC(=O)O)N(C)CC2(CCCC2)COC)C(F)(F)F | 5 |
Cl.NCC1=CC=C(C=C1)NS(=O)(=O)C.C(C)(C)(C)C1=CC=C(OCC(=O)Cl)C=C1>c1ccncc1>C(C)(C)(C)C1=CC=C(OCC(=O)NCC2=CC=C(C=C2)NS(=O)(=O)C)C=C1 | 3 |
[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[O:6][CH2:7][CH:8]([CH3:12])[NH:9][C:10]=2[N:11]=1.[H-].[Na+].I[CH3:16]>CN(C)C=O>[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[O:6][CH2:7][CH:8]([CH3:12])[N:9]([CH3:16])[C:10]=2[N:11]=1 | 2 |
CN(C)[CH:3]=[O:4].[H-].[Na+].Br[CH2:9][CH:10]([N:17]1[C:21]2[CH:22]=[C:23]([F:27])[C:24]([F:26])=[CH:25][C:20]=2[N:19]=[C:18]1[C:28]1[CH:33]=[CH:32][C:31]([Cl:34])=[CH:30][CH:29]=1)[CH:11]1[CH2:16][CH2:15][CH2:14][CH2:13][CH2:12]1.Cl>C(OCC)(=O)C>[Cl:34][C:31]1[CH:30]=[CH:29][C:28]([C:18]2[N:17]([CH:10]([CH:11]3[CH2:16][CH2:15][CH2:14][CH2:13][CH2:12]3)[CH2:9][O:4][C:3]3[CH:20]=[CH:21][CH:22]=[CH:23][C:24]=3[F:26])[C:21]3[CH:22]=[C:23]([F:27])[C:24]([F:26])=[CH:25][C:20]=3[N:19]=2)=[CH:33][CH:32]=1 | 1 |
[I-].C[S+](=O)(C)C.C(#N)C1=CC=C(C=C1)/C=C(/C=C/C(=O)OCC)\C>CS(=O)C.[H-].[Na+]>C(#N)C1=CC=C(C=C1)\C=C(/C)\C1C(C1)C(=O)OCC | 3 |
COC=1C=C(C=CC1N1C=NC(=C1)C)N.ClC1=NC(=CC(=N1)NC1CC1)COCC(F)(F)F>>C1(CC1)NC1=NC(=NC(=C1)COCC(F)(F)F)NC1=CC(=C(C=C1)N1C=NC(=C1)C)OC | 5 |
Cl.FC1CNC1.ClC1=NC=C(C(=N1)N)OC>CCN(CC)CC.O1CCOCC1>FC1CN(C1)C1=NC=C(C(=N1)N)OC | 3 |
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][OH:8].[OH:9][C:10]1[CH:15]=[CH:14][C:13]([CH2:16][CH2:17][C:18](O)=[O:19])=[CH:12][CH:11]=1>>[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][O:8][C:18](=[O:19])[CH2:17][CH2:16][C:13]1[CH:14]=[CH:15][C:10]([OH:9])=[CH:11][CH:12]=1 | 1 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([OH:10])=[C:6]([NH2:11])[CH:5]=1)([O-:3])=[O:2].[CH3:12][C:13]1[CH:17]=[CH:16][S:15][C:14]=1[CH:18]=O>C(O)C>[CH3:12][C:13]1[CH:17]=[CH:16][S:15][C:14]=1[CH:18]=[N:11][C:6]1[CH:5]=[C:4]([N+:1]([O-:3])=[O:2])[CH:9]=[CH:8][C:7]=1[OH:10] | 1 |
[NH2:1][C:2]1[CH:3]=[N:4][CH:5]=[CH:6][C:7]=1[NH2:8].[C:9](OC(OCC)OCC)(=O)C>C(OCC)(=O)C>[N:8]1[C:7]2[CH:6]=[CH:5][N:4]=[CH:3][C:2]=2[NH:1][CH:9]=1 | 1 |
C1(CC1)COC1=CC=C(N)C=C1.ClC=1C(=NC=CN1)C1=NOC(N1)=O>C(C)(C)O.C(C)(C)N(C(C)C)CC>C1(CC1)COC1=CC=C(NC=2C(=NC=CN2)C2=NOC(N2)=O)C=C1 | 3 |
CN1CCNCC1.FC=1C=C(CC=2C=C3C(=NNC3=CC2)NC(=O)C2=C(C=C(C(=O)O)C=C2)[N+](=O)[O-])C=C(C1)F>N(C)(C)C=O.O.n1nn(O)c2ccccc12.CCN=C=NCCCN(C)C>FC=1C=C(CC=2C=C3C(=NNC3=CC2)NC(C2=C(C=C(C=C2)C(=O)N2CCN(CC2)C)[N+](=O)[O-])=O)C=C(C1)F | 3 |
[O:1]1[CH2:6][CH2:5][N:4]([C:7]2[N:12]=[C:11]([N:13]3[CH2:18][CH2:17][O:16][CH2:15][CH2:14]3)[N:10]=[C:9]([C:19]3[CH:24]=[CH:23][C:22]([NH:25][C:26](=[O:37])[NH:27][C:28]4[CH:36]=[CH:35][C:31]([C:32]([OH:34])=O)=[CH:30][CH:29]=4)=[CH:21][CH:20]=3)[N:8]=2)[CH2:3][CH2:2]1.CCN(C(C)C)C(C)C.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[NH:71]1[CH2:76][CH2:75][CH:74]([N:77]2[CH2:82][CH2:81][O:80][CH2:79][CH2:78]2)[CH2:73][CH2:72]1>CN1C(=O)CCC1>[O:1]1[CH2:6][CH2:5][N:4]([C:7]2[N:12]=[C:11]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[N:10]=[C:9]([C:19]3[CH:20]=[CH:21][C:22]([NH:25][C:26]([NH:27][C:28]4[CH:29]=[CH:30][C:31]([C:32]([N:71]5[CH2:76][CH2:75][CH:74]([N:77]6[CH2:82][CH2:81][O:80][CH2:79][CH2:78]6)[CH2:73][CH2:72]5)=[O:34])=[CH:35][CH:36]=4)=[O:37])=[CH:23][CH:24]=3)[N:8]=2)[CH2:3][CH2:2]1 | 1 |
Cl.[NH2:2][C@H:3]([C:5]1[C:6](=[O:17])[NH:7][C:8]2[C:13]([CH:14]=1)=[CH:12][C:11]([Cl:15])=[CH:10][C:9]=2[F:16])[CH3:4].F[C:19]1[C:24](=[O:25])[N:23]([CH3:26])[C:22]([C:27]#[N:28])=[CH:21][CH:20]=1.CCN(C(C)C)C(C)C.O>CS(C)=O>[Cl:15][C:11]1[CH:12]=[C:13]2[C:8](=[C:9]([F:16])[CH:10]=1)[NH:7][C:6](=[O:17])[C:5]([C@@H:3]([NH:2][C:19]1[C:24](=[O:25])[N:23]([CH3:26])[C:22]([C:27]#[N:28])=[CH:21][CH:20]=1)[CH3:4])=[CH:14]2 | 2 |
C(C)(C)(C)OC(=O)N1CCN(CC1)C=1NC(=CC1C#N)C1=CC(=NC=C1)C=1C=NC(=NC1)N(C)CCOC>>FC(C(=O)O)(F)F.COCCN(C1=NC=C(C=N1)C1=NC=CC(=C1)C1=CC(=C(N1)N1CCNCC1)C#N)C | 5 |
CON(C(=O)C1=C(C=CC=C1)SC)C.BrC1=NC=C(C=C1N(S(=O)(=O)C1=CC(=C(C=C1)Cl)C(F)(F)F)COC)Cl>>ClC1=C(C=C(C=C1)S(=O)(=O)N(COC)C=1C(=NC=C(C1)Cl)C(C1=C(C=CC=C1)SC)=O)C(F)(F)F | 5 |
CI.OC1CCN(CC1)C(=O)OCC1=CC=CC=C1>C1CCCO1.[H-].[Na+]>COC1CCN(CC1)C(=O)OCC1=CC=CC=C1 | 3 |
FC=1C=C(C=CC1)C(C1=C(C(=NO1)C)C(=O)OCC)O>ClCCl.C=1C=C[NH+]=CC1.[O-][Cr](=O)(=O)Cl>FC=1C=C(C(=O)C2=C(C(=NO2)C)C(=O)OCC)C=CC1 | 3 |
[N+](=O)([O-])C1=CC=C(C=C1)C1=NOC=C1>Cl.C(C)(=O)O.[Sn](Cl)Cl>O1N=C(C=C1)C1=CC=C(C=C1)N | 3 |
COC1=CC2=C(N(C=N2)CC=2C=C(C(=O)OC)C=CC2)C=C1>>OC1=CC2=C(N(C=N2)CC=2C=C(C(=O)OC)C=CC2)C=C1 | 5 |
C1(=CC=CC=C1)NC(NN)=[Se]>O.[OH-].[K+].[K+].[K+].Cl[Pt-2](Cl)(Cl)Cl>Cl[Pt]Cl.C1(=CC=CC=C1)NC(NN)=[Se] | 3 |
[NH2:1][CH2:2][C:3]1[CH:4]=[CH:5][C:6]2[O:10][C:9]([CH:11]([C:13]3[C:14]([CH3:19])=[N:15][O:16][C:17]=3[CH3:18])[OH:12])=[CH:8][C:7]=2[CH:20]=1.[CH3:21][C:22]1[CH:27]=[C:26]([CH3:28])[CH:25]=[CH:24][C:23]=1[CH:29]([C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)[C:30](O)=[O:31]>>[CH3:19][C:14]1[C:13]([CH:11]([OH:12])[C:9]2[O:10][C:6]3[CH:5]=[CH:4][C:3]([CH2:2][NH:1][C:30](=[O:31])[CH:29]([C:23]4[CH:24]=[CH:25][C:26]([CH3:28])=[CH:27][C:22]=4[CH3:21])[C:33]4[CH:34]=[CH:35][CH:36]=[CH:37][CH:38]=4)=[CH:20][C:7]=3[CH:8]=2)=[C:17]([CH3:18])[O:16][N:15]=1 | 2 |
BrC1=C2N=CNC2=NC=N1.ClC=1C=CC=C2C=C(C(=NC12)C1=NC(=CC=C1)C)[C@H](C)N>C(C)(C)N(C(C)C)CC.CC(CC)O>ClC=1C=CC=C2C=C(C(=NC12)C1=NC(=CC=C1)C)[C@H](C)NC1=C2N=CNC2=NC=N1 | 3 |
C1C(C2=CC=CC=C2)O1>O.C(O)CN>OCCNCC(C1=CC=CC=C1)O | 3 |
[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[C:5]([O:9][CH3:10])=[CH:4][C:3]=1[NH:11][C:12]1[C:17]([C:18]#[N:19])=[CH:16][N:15]=[C:14]2[CH:20]=[C:21](I)[S:22][C:13]=12.[CH:24]([C:26]1[CH:27]=[C:28](B(O)O)[CH:29]=[CH:30][CH:31]=1)=[O:25]>COCCOC.C(=O)(O)[O-].[Na+].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:1][C:2]1[CH:7]=[C:6]([Cl:8])[C:5]([O:9][CH3:10])=[CH:4][C:3]=1[NH:11][C:12]1[C:17]([C:18]#[N:19])=[CH:16][N:15]=[C:14]2[CH:20]=[C:21]([C:30]3[CH:29]=[CH:28][CH:27]=[C:26]([CH:24]=[O:25])[CH:31]=3)[S:22][C:13]=12 | 1 |
[CH2:1]([O:3][C:4]([CH:6]1[C:15](=[O:16])[CH2:14][C:13]2[C:8](=[CH:9][CH:10]=[CH:11][C:12]=2[Br:17])[O:7]1)=[O:5])[CH3:2].FC(F)(F)C(O)=[O:21]>CO.Cl.O>[C:15]([CH2:14][C:13]1[C:8]([O:7][CH2:6][C:4]([O:3][CH2:1][CH3:2])=[O:5])=[CH:9][CH:10]=[CH:11][C:12]=1[Br:17])([OH:21])=[O:16] | 1 |
COC=1C=C(C=C(C1)OC)N(S(=O)(=O)C1=CC=C(C=C1)C)CCCCCCC>ClCCl.B(Cl)(Cl)Cl.[I-].C(CCC)[N+](CCCC)(CCCC)CCCC>OC=1C=C(C=C(C1)O)N(S(=O)(=O)C1=CC=C(C=C1)C)CCCCCCC | 3 |
FC(C=1C=C(CN(CC2=C(C=CC(=C2)C(F)(F)F)B2OC(C(O2)(C)C)(C)C)C2=NC=C(C=N2)N2CCOCC2)C=C(C1)C(F)(F)F)(F)F.ClC1=NC(=NC=C1C(=O)OCC)C(F)(F)F>O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+]>FC(C=1C=C(CN(C2=NC=C(C=N2)N2CCOCC2)CC2=C(C=CC(=C2)C(F)(F)F)C2=NC(=NC=C2C(=O)OCC)C(F)(F)F)C=C(C1)C(F)(F)F)(F)F | 3 |
C(C)(C)(C)OC(=O)N1CCN(CC1)C1=NC=CN=C1C1=CC=C(C=C1)CO>ClCCl.C(=O)(C(F)(F)F)O>Cl.Cl.N1(CCNCC1)C1=NC=CN=C1C1=CC=C(C=C1)CO | 3 |
C(C1=CC=CC=C1)OC1=C(C(=NC2=CC=CC=C12)O[C@H]1CN[C@@H](C1)C(=O)OC)C#CCCC[C@H]1[C@@H](C1)OC(=O)N[C@H](C(=O)O)C1(CCCCC1)C>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>COC(=O)[C@H]1N2C([C@@H](NC(O[C@H]3[C@H](CCCC#CC=4C(=NC=5C=CC=CC5C4OCC4=CC=CC=C4)O[C@H](C1)C2)C3)=O)C3(CCCCC3)C)=O | 3 |
[CH2:1]([O:3][C:4]1[C:5]([F:13])=[C:6]2[CH:12]=[CH:11][NH:10][C:7]2=[N:8][CH:9]=1)[CH3:2].[N+:14]([O-])([OH:16])=[O:15]>>[CH2:1]([O:3][C:4]1[C:5]([F:13])=[C:6]2[C:12]([N+:14]([O-:16])=[O:15])=[CH:11][NH:10][C:7]2=[N:8][CH:9]=1)[CH3:2] | 1 |
C(C1=CC=CC=C1)N1N=C(C(=C1)C(=O)O)OCC1=CC(=C(C=C1)OCC=1N=C(OC1C)C=1OC=CC1)OC>N(C)(C)C=O.Cl.C(C)N=C=NCCCN(C)C>C(C1=CC=CC=C1)N1N=C(C(=C1)C(=O)N)OCC1=CC(=C(C=C1)OCC=1N=C(OC1C)C=1OC=CC1)OC | 3 |
Cl[C:2]1[N:7]=[N:6][C:5]([CH3:8])=[C:4]([C:9]2[CH:14]=[C:13]([C:15]([F:18])([F:17])[F:16])[CH:12]=[CH:11][C:10]=2[O:19][CH3:20])[CH:3]=1>CO>[CH3:20][O:19][C:10]1[CH:11]=[CH:12][C:13]([C:15]([F:16])([F:17])[F:18])=[CH:14][C:9]=1[C:4]1[CH:3]=[CH:2][N:7]=[N:6][C:5]=1[CH3:8] | 1 |
ClC=1NC=C(N1)[N+](=O)[O-].O1CC12CCN(CC2)C(CN2CCN(CC2)C(=O)OC(C)(C)C)=O>CCO[H].C(O)([O-])=O.[Na+]>ClC=1N(C=C(N1)[N+](=O)[O-])CC1(CCN(CC1)C(CN1CCN(CC1)C(=O)OC(C)(C)C)=O)O | 3 |
CI.ClC=1C=C2CCC[C@@]3(C2=CC1)COC1=C(N(C3)C[C@H]3[C@@H](CC3)COCC(=O)O)C=C(C=C1)S(N)(=O)=O>>ClC=1C=C2CCC[C@@]3(C2=CC1)COC1=C(N(C3)C[C@H]3[C@@H](CC3)COCC(=O)OC)C=C(C=C1)S(N)(=O)=O | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:8]([OH:29])[CH2:9][NH:10][CH:11]([CH3:28])[CH2:12][C:13]2[CH:27]=[CH:26][C:16]3[O:17][C:18]([C:23]([OH:25])=[O:24])([C:20]([OH:22])=[O:21])[O:19][C:15]=3[CH:14]=2)[CH:5]=[CH:6][CH:7]=1.[CH3:30][C:31]([CH3:37])([CH2:34][CH2:35][CH3:36])[CH2:32]O.[K+].[Br-].Cl>>[CH3:30][C:31]([CH3:37])([CH2:34][CH2:35][CH3:36])[CH2:32][O:24][C:23]([C:18]1([C:20]([O:22][CH2:30][C:31]([CH3:37])([CH3:32])[CH2:34][CH2:35][CH3:36])=[O:21])[O:17][C:16]2[CH:26]=[CH:27][C:13]([CH2:12][C@H:11]([NH:10][CH2:9][C@@H:8]([C:4]3[CH:5]=[CH:6][CH:7]=[C:2]([Cl:1])[CH:3]=3)[OH:29])[CH3:28])=[CH:14][C:15]=2[O:19]1)=[O:25] | 1 |
C1(CC1)C=1C=C(C=2N(C1)C=C(N2)[C@@H](C)NC(OC(C)(C)C)=O)NCC2(COC2)NC>CC#N.CCN(CC)CC.C(=O)(C=1NC=CN1)C=1NC=CN1>C1(CC1)C=1C=C(C=2N(C1)C=C(N2)[C@@H](C)NC(OC(C)(C)C)=O)N2C(N(C1(COC1)C2)C)=O | 3 |
Br[CH2:2][CH2:3][N:4]1[C:8]([C:9]([O:11]C)=O)=[CH:7][C:6]([C:13]([O:15][CH3:16])=[O:14])=[N:5]1.C(N(C(C)C)CC)(C)C.[C:26]([N:33]1[CH2:38][CH2:37][CH:36]([CH2:39][CH2:40][NH2:41])[CH2:35][CH2:34]1)([O:28][C:29]([CH3:32])([CH3:31])[CH3:30])=[O:27].[I-].[K+]>CC#N>[CH3:16][O:15][C:13]([C:6]1[CH:7]=[C:8]2[C:9](=[O:11])[N:41]([CH2:40][CH2:39][CH:36]3[CH2:35][CH2:34][N:33]([C:26]([O:28][C:29]([CH3:32])([CH3:31])[CH3:30])=[O:27])[CH2:38][CH2:37]3)[CH2:2][CH2:3][N:4]2[N:5]=1)=[O:14] | 1 |
[Cl:1][C:2]([Cl:13])=[CH:3][O:4][C:5]1[CH:6]=[C:7]([CH:10]=[CH:11][CH:12]=1)[CH2:8]Br.C1N2CN3CN(C2)CN1C3.C(O)(=[O:26])C.Cl>C(Cl)(Cl)(Cl)Cl.O>[Cl:1][C:2]([Cl:13])=[CH:3][O:4][C:5]1[CH:6]=[C:7]([CH:10]=[CH:11][CH:12]=1)[CH:8]=[O:26] | 1 |
ClC1=NC=CC(=C1)C(=O)Cl.NC1=C(C(=O)OC)C=CC=N1>ClCCl.CCN(CC)CC>COC(C1=C(N=CC=C1)NC(=O)C1=CC(=NC=C1)Cl)=O | 3 |
Br[C:2]1[CH:7]=[C:6]([C:8](OC)=[O:9])[C:5]([O:12][CH:13]([CH3:15])[CH3:14])=[CH:4][C:3]=1[C:16]1[CH:21]=[CH:20][C:19]([F:22])=[CH:18][C:17]=1[F:23].[CH:24]1(B(O)O)[CH2:26][CH2:25]1.C1(P(C2CCCCC2)C2C=CC=CC=2C2C(OC)=CC=CC=2OC)CCCCC1.C(=O)([O-])[O-].[Na+].[Na+]>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].C1(C)C=CC=CC=1>[CH:24]1([C:2]2[CH:7]=[C:6]([CH2:8][OH:9])[C:5]([O:12][CH:13]([CH3:15])[CH3:14])=[CH:4][C:3]=2[C:16]2[CH:21]=[CH:20][C:19]([F:22])=[CH:18][C:17]=2[F:23])[CH2:26][CH2:25]1 | 1 |
BrCC(=O)OC(C)(C)C.CC1(NCC=C(C1)C1=CC=2C(=NC=CC2C2=C(C=CC(=C2)F)OC)N1)C>N(C)(C)C=O.CCN(CC)CC>FC=1C=CC(=C(C1)C1=C2C(=NC=C1)NC(=C2)C2=CCN(C(C2)(C)C)CC(=O)OC(C)(C)C)OC | 3 |
ClC=1C=C2C=C(NC2=CC1)C(=O)O.NC1=C(C(=CC(=C1)S(=O)(=O)CC)[N+](=O)[O-])O>N(C)(C)C=O.ClCCl.c1ccncc1.C(C(=O)Cl)(=O)Cl>C(C)S(=O)(=O)C=1C=C(C(=C(C1)NC(=O)C=1NC2=CC=C(C=C2C1)Cl)O)[N+](=O)[O-] | 3 |
[C:1]([O:7][CH2:8][CH3:9])(=[O:6])[CH2:2][C:3]([CH3:5])=[O:4].[Br:10]Br.O>C(O)(=O)C>[Br:10][CH2:5][C:3](=[O:4])[CH2:2][C:1]([O:7][CH2:8][CH3:9])=[O:6] | 1 |
N1(CCOCC1)C(=O)Cl.FC=1C(=C(C=O)C=CC1)O>ClCCl.c1ccncc1>N1(CCOCC1)C(=O)OC1=C(C=CC=C1C=O)F | 3 |
[CH3:1][N:2]1[CH2:7][C:6](=[O:8])[C:5]2[CH:9]=[CH:10][CH:11]=[CH:12][C:4]=2[S:3]1(=[O:14])=[O:13].[C:15](=O)([O-:17])[O-:16].C[Mg+2].Cl.C(OCC)C>CN(C)C=O>[CH3:1][N:2]1[CH:7]([C:15]([OH:17])=[O:16])[C:6](=[O:8])[C:5]2[CH:9]=[CH:10][CH:11]=[CH:12][C:4]=2[S:3]1(=[O:13])=[O:14] | 1 |
[CH3:1][N:2]([CH3:17])[CH:3]1[CH2:8][CH2:7][C:6]([C:9]2[CH:10]=[C:11]([NH2:16])[CH:12]=[C:13]([F:15])[CH:14]=2)=[CH:5][CH2:4]1.[Cl:18][C:19]1[CH:27]=[C:26]([F:28])[CH:25]=[CH:24][C:20]=1[C:21](Cl)=[O:22]>O1CCOCC1>[ClH:18].[Cl:18][C:19]1[CH:27]=[C:26]([F:28])[CH:25]=[CH:24][C:20]=1[C:21]([NH:16][C:11]1[CH:12]=[C:13]([F:15])[CH:14]=[C:9]([C:6]2[CH2:7][CH2:8][CH:3]([N:2]([CH3:17])[CH3:1])[CH2:4][CH:5]=2)[CH:10]=1)=[O:22] | 1 |
ClC1=C(C(=CC=2CN3[C@@H](COC21)CN(CC3)C(=O)OC(C)(C)C)OC)C3=C(C=CC=C3O)F>ClCCl.C(=O)(C(F)(F)F)O>ClC1=C(C(=CC=2CN3[C@@H](COC21)CNCC3)OC)C3=C(C=CC=C3F)O | 3 |
COC1=CC=C(CN(C2=NC(=NC(=N2)C)C=2C=C(C=NC2NC=2C=NC(=C(C2)F)OC)C(C(=O)OC(C)(C)C)(C)C)CC2=CC=C(C=C2)OC)C=C1>>NC1=NC(=NC(=N1)C)C=1C=C(C=NC1NC=1C=NC(=C(C1)F)OC)C(C(=O)O)(C)C | 5 |
C(=C)C1=CC2=CC=CC=C2C=C1>ClCCCl.[O].FC(S(=O)(=O)[O-])(F)F.[Fe+3].FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.C(C)(C)(C)C1=CC=C(C=C1)S(=O)(=O)N1C(N[C@@H]([C@H]1C1=CC=CC=C1)C1=CC=CC=C1)C1=NC(=CC=C1)C1N([C@@H]([C@H](N1)C1=CC=CC=C1)C1=CC=CC=C1)S(=O)(=O)C1=CC=C(C=C1)C(C)(C)C>C1=C(C=CC2=CC=CC=C12)C=O | 3 |
ClC(=O)OCC1=CC=CC=C1.BrC1=CC=C(C=C1)N1CCNCC1>ClCCl.CCN(CC)CC>C(C1=CC=CC=C1)OC(=O)N1CCN(CC1)C1=CC=C(C=C1)Br | 3 |
C(C)(C)(C)N.ClC1=NC=CC2=CC=C(C=C12)C(=O)O>C[Si](C)(C)[N-][Si](C)(C)C.[Li+].O1CCOCC1.CC(C)(C)[O-].[Na+].C1(CCCCC1)P(C1=C(C=CC=C1)C1=C(C=CC=C1OC(C)C)OC(C)C)C1CCCCC1.CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C>C(C)(C)(C)NC1=NC=CC2=CC=C(C=C12)C(=O)O | 3 |
C[O:2][C:3]1[CH:4]=[CH:5][C:6]2[CH2:12][CH2:11][CH2:10][C:9](=[O:13])[NH:8][C:7]=2[CH:14]=1.B(Br)(Br)Br>C(Cl)Cl>[OH:2][C:3]1[CH:4]=[CH:5][C:6]2[CH2:12][CH2:11][CH2:10][C:9](=[O:13])[NH:8][C:7]=2[CH:14]=1 | 1 |
[Cl:1][C:2]1[C:7]([O:8][CH:9]([CH3:11])[CH3:10])=[CH:6][C:5]([N:12]=[C:13]=[O:14])=[C:4]([F:15])[CH:3]=1.[NH2:16]/[C:17](/[CH3:25])=[C:18](/[F:24])\[C:19](OCC)=[O:20]>C(OCC)C>[Cl:1][C:2]1[C:7]([O:8][CH:9]([CH3:10])[CH3:11])=[CH:6][C:5]([N:12]2[C:19](=[O:20])[C:18]([F:24])=[C:17]([CH3:25])[NH:16][C:13]2=[O:14])=[C:4]([F:15])[CH:3]=1 | 1 |
C1(=CC=CC2=CC=CC=C12)NC=1OC2=C(N1)C=CC(=C2F)CC(=O)OC>C1CCCO1.CO[H].[OH-].[Na+]>C1(=CC=CC2=CC=CC=C12)NC=1OC2=C(N1)C=CC(=C2F)CC(=O)O | 3 |
C(C)(C)(C)OC(=O)N1CC(CC1)(C)O>>C(C)(C)(C)OC(=O)N1CC(CC1)(C)OC(=O)Cl | 5 |
C(C#C)Br.OC1=C(C=CC(=C1)O)C(CC)=O>C([O-])([O-])=O.[K+].[K+].CC(=O)C>OC1=C(C=CC(=C1)OCC#C)C(CC)=O | 3 |
ClC=1C=C(CN)C=CC1.COC=1C(=NC=C(C1)OC)N1C(NC2=CC(=CC=C2C1=O)C(=O)O)=S>CC#N.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.[B-](F)(F)(F)F>ClC=1C=C(CNC(=O)C2=CC=C3C(N(C(NC3=C2)=S)C2=NC=C(C=C2OC)OC)=O)C=CC1 | 3 |
[O:1]=[C:2]1[NH:8][C:7]2[CH:9]=[C:10]([CH3:13])[CH:11]=[CH:12][C:6]=2[N:5]([C:14]([CH:16]2[CH2:21][CH2:20][CH2:19][CH2:18][CH2:17]2)=[O:15])[CH2:4][CH:3]1[NH:22][C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24].Br[CH2:31][C:32]([C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][C:35]=1[CH3:40])=[O:33].[OH-].[Na+].Cl>C1(C)C=CC=CC=1.[Br-].C([N+](CCCC)(CCCC)CCCC)CCC>[C:35]1([CH3:40])[C:34]([C:32]([CH2:31][N:8]2[C:7]3[CH:9]=[C:10]([CH3:13])[CH:11]=[CH:12][C:6]=3[N:5]([C:14]([CH:16]3[CH2:21][CH2:20][CH2:19][CH2:18][CH2:17]3)=[O:15])[CH2:4][CH:3]([NH:22][C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])[C:2]2=[O:1])=[O:33])=[CH:39][CH:38]=[CH:37][CH:36]=1 | 1 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([CH:9]2[N:14]3[N:15]=[N:16][N:17]=[C:13]3[NH:12][C:11]([CH3:18])=[C:10]2[C:19]([O:21][CH2:22][CH3:23])=[O:20])=[CH:5][CH:4]=1)#[N:2].[F:24][C:25]([F:36])([F:35])[C:26]1[CH:27]=[C:28](B(O)O)[CH:29]=[CH:30][CH:31]=1.N1C=CC=CC=1.C(N(CC)CC)C>C([O-])(=O)C.[Cu+2].C([O-])(=O)C.ClCCl>[C:1]([C:3]1[CH:8]=[CH:7][C:6]([CH:9]2[N:14]3[N:15]=[N:16][N:17]=[C:13]3[N:12]([C:30]3[CH:29]=[CH:28][CH:27]=[C:26]([C:25]([F:36])([F:35])[F:24])[CH:31]=3)[C:11]([CH3:18])=[C:10]2[C:19]([O:21][CH2:22][CH3:23])=[O:20])=[CH:5][CH:4]=1)#[N:2] | 1 |
O1C2=C(C=C1B(O)O)C=CC=C2.BrC1=CN=CC2=CC=C(C=C12)CN>O.O1CCOCC1.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].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.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>O1C(=CC2=C1C=CC=C2)C2=CN=CC1=CC=C(C=C21)CN | 3 |
C(C)(C)(C)O[C@H](C(=O)OCC)C=1C(=NC(=C(C1N1CCC(CC1)(C)C)C1=CC=C(C=C1)OCCC1=CC=C(C=C1)OC)C)C>CCO[H].[OH-].[Na+]>C(C)(C)(C)O[C@H](C(=O)O)C=1C(=NC(=C(C1N1CCC(CC1)(C)C)C1=CC=C(C=C1)OCCC1=CC=C(C=C1)OC)C)C | 3 |
CC1=NOC(=C1B(O)O)C.BrC1=CC=2NC=3C=C(C=CC3C2N=C1)C1(COC1)O[Si](C)(C)C(C)(C)C>>[Si](C)(C)(C(C)(C)C)OC1(COC1)C=1C=CC=2C3=C(NC2C1)C=C(C=N3)C=3C(=NOC3C)C | 5 |
N1(CCCCC1)CCN.COC1=CC=C(CN2C(C=3C=CC=NC3C3=C2C=CC(=C3)C(=O)O)=O)C=C1>>COC1=CC=C(CN2C(C=3C=CC=NC3C3=C2C=CC(=C3)C(=O)NCCN3CCCCC3)=O)C=C1 | 5 |
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