smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[Br:1][C:2]1[CH:19]=[CH:18][C:5]([CH2:6][O:7][C:8]2[C:9]([CH2:15][CH2:16][NH2:17])=[N:10][C:11]([CH3:14])=[CH:12][CH:13]=2)=[CH:4][CH:3]=1.[CH:20]([C:22]1[CH:31]=[CH:30][C:25]([C:26]([O:28][CH3:29])=[O:27])=[CH:24][CH:23]=1)=O.[BH4-].[Na+].O>C(O)C>[Br:1][C:2]1[CH:19]=[CH:18][C:5]([CH2:6][O:7][C:8]2[C:9]([CH2:15][CH2:16][NH:17][CH2:20][C:22]3[CH:31]=[CH:30][C:25]([C:26]([O:28][CH3:29])=[O:27])=[CH:24][CH:23]=3)=[N:10][C:11]([CH3:14])=[CH:12][CH:13]=2)=[CH:4][CH:3]=1 | 1 |
FC1(CNCC1)F.CN1N=CC(=C1)C1=CC=C(C=C1)C1=CN=CC2=CC=C(C=C12)C(=O)O>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>FC1(CN(CC1)C(=O)C=1C=C2C(=CN=CC2=CC1)C1=CC=C(C=C1)C=1C=NN(C1)C)F | 3 |
BrC(C)C.[Mg].I[C:7]1[CH:8]=[C:9]([CH:12]=[CH:13][CH:14]=1)[C:10]#[N:11].[CH3:15][C:16]1([CH3:37])[O:21][C:20](=[O:22])[C:19](=[C:23]2[CH2:28][CH2:27][N:26]([C:29]([O:31][C:32]([CH3:35])([CH3:34])[CH3:33])=[O:30])[CH2:25][CH2:24]2)[C:18](=[O:36])[O:17]1.[NH4+].[Cl-]>C1COCC1.[Cu](I)I>[C:10]([C:9]1[CH:8]=[C:7]([C:23]2([CH:19]3[C:18](=[O:36])[O:17][C:16]([CH3:37])([CH3:15])[O:21][C:20]3=[O:22])[CH2:28][CH2:27][N:26]([C:29]([O:31][C:32]([CH3:35])([CH3:34])[CH3:33])=[O:30])[CH2:25][CH2:24]2)[CH:14]=[CH:13][CH:12]=1)#[N:11] | 2 |
FC1=C(C=C(CNC(=O)C2=NC(=NC(=C2)C=NO)C)C=C1)OC.CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]1OC[C@@H](OC1)C=C>>CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]1OC[C@@H](OC1)[C@@H]1CC(=NO1)C1=NC(=NC(=C1)C(NCC1=CC(=C(C=C1)F)OC)=O)C | 5 |
BrC=1N=C2N(N1)[C@@H](C[C@@H]2F)C2=C(C=CC=C2)F.F[C@H]1[C@@H](C1)C(=O)N(C)OC>O.C1CCCO1.C(C)(C)[Mg]Cl>F[C@H]1[C@@H](C1)C(=O)C=1N=C2N(N1)[C@@H](C[C@@H]2F)C2=C(C=CC=C2)F | 3 |
FC1=CC=C2C(=CN(C2=C1)C)C=O.CN1C(=C(C2=CC=CC=C12)C)C=O.BrC=1C=CC(=NC1)NCC(=O)OC>>FC1=CC=C2C(=CN(C2=C1)C)CNC | 3 |
C(OC)(OC)OC.N[C@@H](CC1=C(C=C(C(=O)N)C=C1C)C)CN1C(C2=CC=CC=C2C1=O)=O>CC#N.O.C=O.C(#N)[BH3-].[Na+]>CN([C@@H](CC1=C(C=C(C(=O)N)C=C1C)C)CN1C(C2=CC=CC=C2C1=O)=O)C | 3 |
C(C1=CC=CC=C1)(=O)Cl.ClC1=CC=C(CO[C@H]2C[C@@H](O[C@@H]2CO)N2C(=O)NC(=O)C(=C2)F)C=C1>c1ccncc1>C(C1=CC=CC=C1)(=O)N1C(N([C@H]2C[C@H](OCC3=CC=C(C=C3)Cl)[C@@H](COC(C3=CC=CC=C3)=O)O2)C=C(C1=O)F)=O | 3 |
N([O-])=O.[Na+].O.N[C:7]1[N:8]=[CH:9][NH:10][C:11]=1[C:12]([O:14][CH2:15][CH3:16])=[O:13].[OH-].[Na+].[H+].[B-](F)(F)(F)[F:21]>>[F:21][C:7]1[N:8]=[CH:9][NH:10][C:11]=1[C:12]([O:14][CH2:15][CH3:16])=[O:13] | 1 |
[NH2:1][CH2:2][C:3]1[C:12](=[O:13])[C:11]2[C:6](=[CH:7][C:8]([Cl:14])=[CH:9][CH:10]=2)[N:5]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH:4]=1.[CH3:21][N:22]([CH3:32])[C:23]1[CH:28]=[CH:27][C:26]([N:29]=[C:30]=[O:31])=[CH:25][CH:24]=1>>[Cl:14][C:8]1[CH:7]=[C:6]2[C:11]([C:12](=[O:13])[C:3]([CH2:2][NH:1][C:30]([NH:29][C:26]3[CH:27]=[CH:28][C:23]([N:22]([CH3:32])[CH3:21])=[CH:24][CH:25]=3)=[O:31])=[CH:4][N:5]2[C:15]2[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=2)=[CH:10][CH:9]=1 | 1 |
CCOP(OCC)([CH2:6][C:7]([N:9]([O:11][CH3:12])[CH3:10])=[O:8])=O.[H-].[Na+].[S:18]1[CH:22]=[C:21]([CH:23]=O)[C:20]2[CH:25]=[CH:26][CH:27]=[CH:28][C:19]1=2>C1COCC1>[S:18]1[CH:22]=[C:21](/[CH:23]=[CH:6]/[C:7]([N:9]([O:11][CH3:12])[CH3:10])=[O:8])[C:20]2[CH:25]=[CH:26][CH:27]=[CH:28][C:19]1=2 | 1 |
[N+:1]([C:4]1[CH:24]=[CH:23][C:7]([O:8][C:9]2[N:14]=[CH:13][N:12]=[C:11]([NH:15][C:16]3[CH:21]=[CH:20][C:19]([OH:22])=[CH:18][CH:17]=3)[CH:10]=2)=[CH:6][CH:5]=1)([O-:3])=[O:2].[Si:25](Cl)([C:28]([CH3:31])([CH3:30])[CH3:29])([CH3:27])[CH3:26].CCN(CC)CC>CN(C=O)C>[C:28]([Si:25]([CH3:27])([CH3:26])[O:22][C:19]1[CH:20]=[CH:21][C:16]([NH:15][C:11]2[CH:10]=[C:9]([O:8][C:7]3[CH:23]=[CH:24][C:4]([N+:1]([O-:3])=[O:2])=[CH:5][CH:6]=3)[N:14]=[CH:13][N:12]=2)=[CH:17][CH:18]=1)([CH3:31])([CH3:30])[CH3:29] | 2 |
S1C=C(C2=C1C=CC=C2)C2=C(C(=C1N=CC=NC1=C2)C(=O)NCC(=O)OCC)O>CCO[H].[OH-].[Na+]>S1C=C(C2=C1C=CC=C2)C2=C(C(=C1N=CC=NC1=C2)C(=O)NCC(=O)O)O | 3 |
CN1C=C(C=2N=CN=C(C21)OC2CCN(CC2)C(=O)OC(C)(C)C)C2=CC=C(C=C2)S(=O)(=O)C>ClCCl.C(=O)(C(F)(F)F)O>CN1C=C(C=2N=CN=C(C21)OC2CCNCC2)C2=CC=C(C=C2)S(=O)(=O)C | 3 |
[Cl:1][C:2]1[CH:7]=[C:6](B2OC(C)(C)C(C)(C)O2)[CH:5]=[CH:4][C:3]=1[CH2:17][C:18]([O:20][CH3:21])=[O:19].Cl[C:23]1[N:24]=[N:25][CH:26]=[C:27]([CH3:29])[CH:28]=1.CC([O-])=O.[K+]>O1CCOCC1.O.CCOC(C)=O>[Cl:1][C:2]1[CH:7]=[C:6]([C:23]2[N:24]=[N:25][CH:26]=[C:27]([CH3:29])[CH:28]=2)[CH:5]=[CH:4][C:3]=1[CH2:17][C:18]([O:20][CH3:21])=[O:19] | 2 |
[H-].[Na+].[Br:3][C:4]1[C:9]([OH:10])=[N:8][C:7]([S:11][CH3:12])=[CH:6][N:5]=1.Br[CH2:14][C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16]>C1COCC1>[Br:3][C:4]1[C:9](=[O:10])[N:8]([CH2:14][C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[C:7]([S:11][CH3:12])=[CH:6][N:5]=1 | 1 |
[C:1]1([CH3:10])[CH:6]=[CH:5][C:4]([C:7](Cl)=[O:8])=[CH:3][CH:2]=1.[Cl-].[Al+3].[Cl-].[Cl-].[C:15]1([S:21]([N:24]2[CH:28]=[CH:27][CH:26]=[CH:25]2)(=[O:23])=[O:22])[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1>C(Cl)CCl>[C:15]1([S:21]([N:24]2[CH:25]=[CH:26][C:27]([C:7]([C:4]3[CH:5]=[CH:6][C:1]([CH3:10])=[CH:2][CH:3]=3)=[O:8])=[CH:28]2)(=[O:23])=[O:22])[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=1 | 1 |
[C:1](#[N:5])[CH:2]([CH3:4])[CH3:3].C(NC(C)C)(C)C.[Li].[C:14]1([Bi:20](Br)[C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1>C1COCC1>[CH3:3][C:2]([Bi:20]([C:21]1[CH:22]=[CH:23][CH:24]=[CH:25][CH:26]=1)[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)([CH3:4])[C:1]#[N:5] | 1 |
[Cl:1][C:2]1[CH:21]=[CH:20][C:5]([O:6][CH:7]([N:15]2[CH:19]=[N:18][CH:17]=[N:16]2)[C:8](=[O:14])[C:9]([CH3:13])([CH3:12])[CH2:10][F:11])=[CH:4][CH:3]=1.[BH4-].[Na+].Cl>CO>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:6][CH:7]([N:15]2[CH:19]=[N:18][CH:17]=[N:16]2)[CH:8]([OH:14])[C:9]([CH3:12])([CH3:13])[CH2:10][F:11])=[CH:20][CH:21]=1 | 1 |
O=CCNC(OC(C)(C)C)=O.C(C)(C)(C)OC(=O)N1C(=NC2=C1C=CC=C2)CNC2CCCC=1C=CC=NC21>ClCCl.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>C(C)(C)(C)OC(=O)N1C(=NC2=C1C=CC=C2)CN(C2CCCC=1C=CC=NC21)CCNC(=O)OC(C)(C)C | 3 |
C1(=CC=C(C=C1)S(=O)(=O)CC#N)C.ClC1=CC=C(C=C1)CCCCCBr>C1=CC=CC=C1.C1CCC2=NCCCN2CC1>ClC1=CC=C(C=C1)CCCCCC(C#N)S(=O)(=O)C1=CC=C(C=C1)C | 3 |
CO[C:3](OC)([CH3:5])[CH3:4].C1(S(O)(=O)=O)C=CC=CC=1.[NH:18]([C:26]([O:28][C:29]([CH3:32])([CH3:31])[CH3:30])=[O:27])[C@H:19]([C:22]([O:24][CH3:25])=[O:23])[CH2:20][OH:21].Cl>O1CCCC1>[CH3:25][O:24][C:22]([C@@H:19]1[CH2:20][O:21][C:3]([CH3:5])([CH3:4])[N:18]1[C:26]([O:28][C:29]([CH3:32])([CH3:31])[CH3:30])=[O:27])=[O:23] | 2 |
ClC1=CC=C(CBr)C=C1.BrC1=NNC(N1CCC(=O)OCC)=O>C(C)(=O)O.CN(C(C)=O)C.C(=O)([O-])[O-].[Cs+].[Cs+]>BrC1=NN(C(N1CCC(=O)OCC)=O)CC1=CC=C(C=C1)Cl | 3 |
[CH2:1]1[CH:5]2[CH2:6][NH:7][CH2:8][CH:4]2[CH2:3][N:2]1[C:9]([C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=1[C:17]1[S:18][CH:19]=[CH:20][CH:21]=1)=[O:10].Cl[C:23]1[N:28]=[C:27]([C:29]2[O:30][CH:31]=[CH:32][CH:33]=2)[CH:26]=[CH:25][N:24]=1>>[O:30]1[CH:31]=[CH:32][CH:33]=[C:29]1[C:27]1[CH:26]=[CH:25][N:24]=[C:23]([N:7]2[CH2:8][CH:4]3[CH:5]([CH2:1][N:2]([C:9]([C:11]4[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=4[C:17]4[S:18][CH:19]=[CH:20][CH:21]=4)=[O:10])[CH2:3]3)[CH2:6]2)[N:28]=1 | 1 |
CS(=O)(=O)Cl.ClC=1C=CC(=C(C1)CO)OCOCCOC>ClCCl.CCN(CC)CC>ClC1=CC(=C(C=C1)OCOCCOC)CCl | 3 |
[F:1][C:2]1[C:7]([F:8])=[C:6]([NH:9][C:10]2[CH:15]=[CH:14][C:13]([I:16])=[CH:12][C:11]=2[F:17])[C:5]([NH2:18])=[CH:4][CH:3]=1.[Br:19][C:20]1[CH:21]=[C:22]([S:26](Cl)(=[O:28])=[O:27])[S:23][C:24]=1[Cl:25]>>[Br:19][C:20]1[CH:21]=[C:22]([S:26]([NH:18][C:5]2[CH:4]=[CH:3][C:2]([F:1])=[C:7]([F:8])[C:6]=2[NH:9][C:10]2[CH:15]=[CH:14][C:13]([I:16])=[CH:12][C:11]=2[F:17])(=[O:28])=[O:27])[S:23][C:24]=1[Cl:25] | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH2:13][CH2:12][C:11](=O)[CH2:10][CH2:9]2)=[CH:4][C:3]=1[NH:15][C@@H:16]([C:18]1[CH:23]=[CH:22][C:21]([Cl:24])=[CH:20][C:19]=1[Cl:25])[CH3:17].[C:26]([O:30][C:31]([NH:33][CH:34]1[CH2:38][CH2:37][NH:36][CH2:35]1)=[O:32])([CH3:29])([CH3:28])[CH3:27].[BH-](OC(C)=O)(OC(C)=O)OC(C)=O.[Na+]>ClC(Cl)C>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH2:13][CH2:12][CH:11]([N:36]3[CH2:37][CH2:38][CH:34]([NH:33][C:31](=[O:32])[O:30][C:26]([CH3:28])([CH3:27])[CH3:29])[CH2:35]3)[CH2:10][CH2:9]2)=[CH:4][C:3]=1[NH:15][C@@H:16]([C:18]1[CH:23]=[CH:22][C:21]([Cl:24])=[CH:20][C:19]=1[Cl:25])[CH3:17] | 1 |
COC1=C(C=C(C=C1)C#CCOC1OCCCC1)C>>COC1=C(C=C(C=C1)CCCOC1OCCCC1)C | 5 |
BrC1=NC=CC=C1C(=O)C1=C(C=CC=C1)Cl.FC(C=1C=C(CN2N=NC(=C2C)[Sn](CCCC)(CCCC)CCCC)C=C(C1)C(F)(F)F)(F)F>N(C)(C)C=O.C1=CC=CC(=C1CBr)CBr>FC(C=1C=C(CN2N=NC(=C2C)C2=NC=CC=C2C(=O)C2=C(C=CC=C2)Cl)C=C(C1)C(F)(F)F)(F)F | 3 |
C(O[N:5]1[CH2:10][CH:9]([CH3:11])[CH2:8][N:7]([C:12]2[C:17]([Cl:18])=[CH:16][C:15]([C:19]([F:22])([F:21])[F:20])=[CH:14][C:13]=2[Cl:23])[S:6]1(=[O:25])=[O:24])(=O)C.[C:26]([O:29]CC)(=[O:28])[CH3:27].Cl>C1COCC1.CO.O>[Cl:18][C:17]1[CH:16]=[C:15]([C:19]([F:22])([F:21])[F:20])[CH:14]=[C:13]([Cl:23])[C:12]=1[N:7]1[S:6](=[O:24])(=[O:25])[N:5]([CH2:27][C:26]([OH:29])=[O:28])[CH2:10][CH:9]([CH3:11])[CH2:8]1 | 1 |
ClC1=CC(=C(C=N1)NC(OC(C)(C)C)=O)I.C(#C)C1CCC1>>ClC1=CC(=C(C=N1)NC(OC(C)(C)C)=O)C#CC1CCC1 | 5 |
[C:1]([C:5]1[CH:6]=[CH:7][C:8]([OH:14])=[C:9]([CH:13]=1)[C:10]([OH:12])=O)([CH3:4])([CH3:3])[CH3:2].[Cl:15][C:16]1[CH:22]=[C:21]([I:23])[CH:20]=[CH:19][C:17]=1[NH2:18]>>[C:1]([C:5]1[CH:6]=[CH:7][C:8]([OH:14])=[C:9]([CH:13]=1)[C:10]([NH:18][C:17]1[CH:19]=[CH:20][C:21]([I:23])=[CH:22][C:16]=1[Cl:15])=[O:12])([CH3:2])([CH3:3])[CH3:4] | 2 |
C(#N)C1=C(C=C(C=C1)N1C(N(C(C1=O)(C)C)C1=CC(=C(OCCN2C[C@@H](N([C@@H](C2)C)CC(=O)O)C)C=C1C)CC)=S)C(F)(F)F.NC=1C=C(C=CC1)NC1C(NC(CC1)=O)=O>N(C)(C)C=O.Cl.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>C(#N)C1=C(C=C(C=C1)N1C(N(C(C1=O)(C)C)C1=CC(=C(OCCN2C[C@@H](N([C@@H](C2)C)CC(=O)NC2=CC(=CC=C2)NC2C(NC(CC2)=O)=O)C)C=C1C)CC)=S)C(F)(F)F | 3 |
[NH:1]1[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.F[C:8]1[CH:17]=[CH:16][C:11]([C:12]([O:14][CH3:15])=[O:13])=[CH:10][C:9]=1[N+:18]([O-:20])=[O:19]>CN(C=O)C.C(OCC)(=O)C>[N+:18]([C:9]1[CH:10]=[C:11]([CH:16]=[CH:17][C:8]=1[N:1]1[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1)[C:12]([O:14][CH3:15])=[O:13])([O-:20])=[O:19] | 1 |
O[C@H](C(=O)NC1C2=C(C3=C(N(C1=O)C)C=CC=C3)C=CC=C2)C>>CN1C2=C(C3=C(C(C1=O)NC(=O)[C@H](C)OC(NCC)=O)C=CC=C3)C=CC=C2 | 5 |
[CH2:1]([N:8]1[C:16]2[CH:15]=[C:14]([C:17]([F:20])([F:19])[F:18])[N:13]=[C:12]([NH:21]CC3C=CC=CC=3)[C:11]=2[NH:10][C:9]1=[O:29])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.OS(O)(=O)=O.C([O-])([O-])=O.[K+].[K+]>O>[NH2:21][C:12]1[C:11]2[NH:10][C:9](=[O:29])[N:8]([CH2:1][C:2]3[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=3)[C:16]=2[CH:15]=[C:14]([C:17]([F:20])([F:19])[F:18])[N:13]=1 | 1 |
[CH2:1]([C@@H:5]1[CH2:9][O:8][C:7](=[O:10])[CH:6]1C(OCC)=O)[CH:2]([CH3:4])[CH3:3].[Li+].[Cl-].O>CS(C)=O>[CH2:1]([C@@H:5]1[CH2:9][O:8][C:7](=[O:10])[CH2:6]1)[CH:2]([CH3:4])[CH3:3] | 2 |
C(C1=CC=CC=C1)C1CNCCC1.Cl.N[C@H]1COC2=C(N(C1=O)C)C=CC=C2>C1CCCO1.CCN(CC)CC.ClC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]>C(C1=CC=CC=C1)C1CN(CCC1)C(=O)N[C@@H]1C(N(C2=C(OC1)C=CC=C2)C)=O | 3 |
C(C)(C)(C)OC(=O)N([C@H](C(=O)N[C@H](C(=O)N1C[C@@H]2N(C[C@H]1C=1SC=C(N1)C(=O)O)CCC2)C2CCCCC2)C)C>>C(C)(C)(C)OC(=O)N([C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H]2N(C[C@H]1C=1SC=C(N1)C(SC1=CC=CC=C1)=O)CCC2)C2CCCCC2)C | 5 |
[NH:1]1[CH:5]=[C:4]([C:6]2[CH:22]=[CH:21][C:9]3[C:10]4[N:11]=[C:12]([C:18]([OH:20])=O)[S:13][C:14]=4[CH2:15][CH2:16][O:17][C:8]=3[CH:7]=2)[CH:3]=[N:2]1.[F:23][C:24]1([F:28])[CH2:27][NH:26][CH2:25]1>>[F:23][C:24]1([F:28])[CH2:27][N:26]([C:18]([C:12]2[S:13][C:14]3[CH2:15][CH2:16][O:17][C:8]4[CH:7]=[C:6]([C:4]5[CH:3]=[N:2][NH:1][CH:5]=5)[CH:22]=[CH:21][C:9]=4[C:10]=3[N:11]=2)=[O:20])[CH2:25]1 | 1 |
C1(=CC=CC=C1)CC(N)B1O[C@@]2([C@](O1)(C[C@H]1C([C@@H]2C1)(C)C)C)C.C(ON1C(CCC1=O)=O)(O[C@@H]1CN(CC1)C(C=C)=O)=O>ClCCl.CCN(CC)CC>C1(=CC=CC=C1)C[C@@H](B1O[C@@H]2[C@](O1)(C[C@H]1C([C@@H]2C1)(C)C)C)NC(O[C@H]1CN(CC1)C(C=C)=O)=O | 3 |
FC(C1=CC=C(C=C1)C1C(NC2(N1)CCCC2)=O)(F)F>>FC(C1=CC=C(C=C1)C=1C(NC2(N1)CCCC2)=O)(F)F | 5 |
C(NC(C)C)(C)C.C([Li])CCC.[CH3:13][Si:14](Cl)([CH3:16])[CH3:15].[CH3:18][C:19](=[O:32])[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31].C(N(CC)CC)C.C(=O)(O)[O-].[Na+]>C1COCC1>[CH3:13][Si:14]([CH3:16])([CH3:15])[O:32][C:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])=[CH2:18] | 1 |
[C:1]1([S:7]([N:10]2[C:14]3[N:15]=[CH:16][N:17]=[C:18](Cl)[C:13]=3[CH:12]=[C:11]2[I:20])(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[F:21][C:22]1[CH:27]=[CH:26][C:25]([C:28]2[NH:29][C:30]([CH:33]3[CH2:38][CH2:37][NH:36][CH2:35][CH2:34]3)=[N:31][N:32]=2)=[CH:24][CH:23]=1.FC(F)(F)C(O)=O.C(=O)([O-])[O-].[K+].[K+].C(#N)C>CCOC(C)=O>[C:1]1([S:7]([N:10]2[C:14]3[N:15]=[CH:16][N:17]=[C:18]([N:36]4[CH2:35][CH2:34][CH:33]([C:30]5[NH:29][C:28]([C:25]6[CH:26]=[CH:27][C:22]([F:21])=[CH:23][CH:24]=6)=[N:32][N:31]=5)[CH2:38][CH2:37]4)[C:13]=3[CH:12]=[C:11]2[I:20])(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[F:21][C:22]1[CH:27]=[CH:26][C:25]([C:28]2[NH:29][C:30]([CH:33]3[CH2:38][CH2:37][N:36]([C:18]4[C:13]5[CH:12]=[C:11]([I:20])[NH:10][C:14]=5[N:15]=[CH:16][N:17]=4)[CH2:35][CH2:34]3)=[N:31][N:32]=2)=[CH:24][CH:23]=1 | 2 |
COC=1C=CC(=C(C1)CNS(=O)C(C)(C)C)S.C(C)(C)(C)OC(C1=C(N=CC=C1)Cl)=O>>C(C)(C)(C)S(=O)NCC1=C(C=CC(=C1)OC)SC1=NC=CC=C1C(=O)OC(C)(C)C | 5 |
[Br:1][CH2:2][C:3]1[CH:4]=[C:5]([CH:8]=[CH:9][CH:10]=1)[CH:6]=O.[NH2:11][OH:12]>C(O)C>[Br:1][CH2:2][C:3]1[CH:4]=[C:5]([CH:8]=[CH:9][CH:10]=1)[CH:6]=[N:11][OH:12] | 2 |
C([O:3][C:4](=[O:33])[C:5]1[CH:10]=[CH:9][N:8]=[C:7]([N:11]2[C:15]([CH3:16])=[CH:14][CH:13]=[C:12]2[C:17]2[CH:22]=[C:21]([Cl:23])[CH:20]=[CH:19][C:18]=2[O:24][CH2:25][C:26]2[CH:31]=[CH:30][C:29]([Cl:32])=[CH:28][CH:27]=2)[CH:6]=1)C.C(O)C>C(OCC)(=O)C>[Cl:23][C:21]1[CH:20]=[CH:19][C:18]([O:24][CH2:25][C:26]2[CH:27]=[CH:28][C:29]([Cl:32])=[CH:30][CH:31]=2)=[C:17]([C:12]2[N:11]([C:7]3[CH:6]=[C:5]([CH:10]=[CH:9][N:8]=3)[C:4]([OH:33])=[O:3])[C:15]([CH3:16])=[CH:14][CH:13]=2)[CH:22]=1 | 2 |
[CH3:1][O:2][C:3]([C:5]1[S:6][C:7]([S:21][CH3:22])=[C:8]([S:10]([C:13]2[CH:14]=[N:15][C:16](Cl)=[C:17]([Br:19])[CH:18]=2)(=[O:12])=[O:11])[CH:9]=1)=[O:4].[N:23]1[CH:27]=[C:26]([CH2:28][CH2:29][NH2:30])[NH:25][CH:24]=1.C(N(C(C)C)CC)(C)C.C1COCC1>CO.C(Cl)Cl.CN(C=O)C>[CH3:1][O:2][C:3]([C:5]1[S:6][C:7]([S:21][CH3:22])=[C:8]([S:10]([C:13]2[CH:14]=[N:15][C:16]([NH:30][CH2:29][CH2:28][C:26]3[NH:25][CH:24]=[N:23][CH:27]=3)=[C:17]([Br:19])[CH:18]=2)(=[O:12])=[O:11])[CH:9]=1)=[O:4] | 1 |
[C:1](#[N:5])[CH2:2][C:3]#[N:4].[C:6](Cl)(=[O:13])[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1.[OH-].[Na+]>C(Cl)Cl>[C:6]([CH:2]([C:1]#[N:5])[C:3]#[N:4])(=[O:13])[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1 | 2 |
Cl[Si](CC)(CC)CC.C(\C=C\CCCC)=O>CC#N.CCN(CC)CC.[I-].[Na+].C(O)([O-])=O.[Na+]>C(C)[Si](OC=CC=CCCC)(CC)CC | 3 |
ClC1=CC=C(CBr)C=C1.ClC1=C(C=C(C(=O)O)C=C1)NC(=O)C1=CC2=C(N=C(N=C2)OC)NC1=O>>ClC1=CC=C(COC(C2=CC(=C(C=C2)Cl)NC(=O)C2=CC3=C(N=C(N=C3)OC)NC2=O)=O)C=C1 | 5 |
Cl.[Br:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]2[C:13]([CH2:14][C@@H:15]3[CH2:19][CH2:18][NH:17][CH2:16]3)=[N:12][NH:11][C:10]2=[O:20])=[C:5]([F:21])[CH:4]=1.C(N(CC)C(C)C)(C)C.[C:31](Cl)(=[O:34])[CH2:32][CH3:33]>ClCCl>[Br:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]2[C:13]([CH2:14][C@@H:15]3[CH2:19][CH2:18][N:17]([C:31](=[O:34])[CH2:32][CH3:33])[CH2:16]3)=[N:12][NH:11][C:10]2=[O:20])=[C:5]([F:21])[CH:4]=1 | 1 |
CS(=O)(=O)Cl.[N+](=O)([O-])C1=CC=C(C=C1)CCCCO>ClCCl.CCN(CC)CC>CS(=O)(=O)OCCCCC1=CC=C(C=C1)[N+](=O)[O-] | 3 |
ClC=1C(=NC(=NC1)N[C@@H]1CN(CCC1)C(=O)OC(C)(C)C)C1=CNC2=CC(=C(C=C12)F)F>ClCCl.C(=O)(C(F)(F)F)O>ClC=1C(=NC(=NC1)N[C@@H]1CNCCC1)C1=CNC2=CC(=C(C=C12)F)F | 3 |
CC(C(=O)OCC)C(=O)C.COC1=C(N)C=CC(=C1)OC=1C=NC(=CC1)COC>CC#N.O.Cl.N(=O)[O-].[Na+]>COC1=C(C=CC(=C1)OC=1C=NC(=CC1)COC)NN=C(C(=O)OCC)C | 3 |
CSC=1C=CC(=C(C1)CC(=O)OCC)[N+](=O)[O-]>[Fe].C(C)(=O)O>CSC=1C=C2CC(NC2=CC1)=O | 3 |
FC1=C(C=C(C=C1)C=C(C(=O)O)C)OC>>FC1=C(C=C(C=C1)CC(C(=O)O)C)OC | 5 |
[C:1](Cl)(=O)[C:2]([Cl:4])=[O:3].CN(C=O)C.[CH3:12][O:13][CH2:14][C:15]1[CH:20]=C(C(O)=O)[CH:18]=[CH:17][C:16]=1[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=1[CH3:30]>C(Cl)Cl>[CH3:12][O:13][CH2:14][C:15]1[CH:20]=[C:1]([C:2]([Cl:4])=[O:3])[CH:18]=[CH:17][C:16]=1[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=1[CH3:30] | 1 |
C1(C(=O)[S:8][CH2:9][CH2:10][NH:11][C:12]2[CH:17]=[C:16]([CH3:18])[CH:15]=[CH:14][N:13]=2)C=CC=CC=1.N.[H-].[Na+].N[CH:24]1C[O:26][C:25]1=[O:28].C(OC([NH:36][C@H:37]1[CH2:40][O:39][C:38]1=[O:41])=O)(C)(C)C.S([O-])(O)(=O)=O.[K+]>CO.CN(C=O)C>[C:25]([OH:28])(=[O:26])[CH3:24].[CH3:18][C:16]1[CH:15]=[CH:14][N:13]=[C:12]([NH:11][CH2:10][CH2:9][S:8][CH2:40][C@@H:37]([C:38]([OH:39])=[O:41])[NH2:36])[CH:17]=1 | 2 |
[F:1][C:2]1[CH:8]=[CH:7][CH:6]=[C:5]([F:9])[C:3]=1[NH2:4].C1(C)C=CC(S(O)(=O)=O)=CC=1.[I:21]N1C(=O)CCC1=O>CN(C=O)C>[F:1][C:2]1[CH:8]=[C:7]([I:21])[CH:6]=[C:5]([F:9])[C:3]=1[NH2:4] | 1 |
C[O:2][C:3](=[O:39])[C@@H:4]([NH:9][C:10]([C:12]1[N:13]=[C:14]([CH2:33][CH:34]2[CH2:38][CH2:37][CH2:36][CH2:35]2)[C:15]2[C:20]([CH:21]=1)=[C:19]([O:22][C:23]1[CH:28]=[CH:27][C:26]([C:29]([CH3:32])([CH3:31])[CH3:30])=[CH:25][CH:24]=1)[CH:18]=[CH:17][CH:16]=2)=[O:11])[C:5]([CH3:8])([CH3:7])[CH3:6].[Li+].[OH-]>C1COCC1.CO>[C:29]([C:26]1[CH:27]=[CH:28][C:23]([O:22][C:19]2[CH:18]=[CH:17][CH:16]=[C:15]3[C:20]=2[CH:21]=[C:12]([C:10]([NH:9][C@@H:4]([C:5]([CH3:8])([CH3:7])[CH3:6])[C:3]([OH:39])=[O:2])=[O:11])[N:13]=[C:14]3[CH2:33][CH:34]2[CH2:38][CH2:37][CH2:36][CH2:35]2)=[CH:24][CH:25]=1)([CH3:32])([CH3:30])[CH3:31] | 1 |
CI.BrC=1C=C2C(CC(OC2=CC1)C1=CC=CC=C1)=O>>BrC=1C=C2C(CC(OC2=CC1)C1=CC=CC=C1)=C | 5 |
CN.ClC1=NC(=CC(=C1)C(=O)OC)C>C1CCCO1.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.O1CCOCC1.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+]>COC(C1=CC(=NC(=C1)C)NCC)=O | 3 |
C(=O)(OC(C)(C)C)N[C@@H](C(C)C)C(=O)O>O.C1CCCO1.[H-].[Na+]>C(C)(C)(C)OC(=O)N(C)[C@H](C(=O)O)C(C)C | 3 |
Br[C:2]1[C:7]2=[N:8][S:9](=[O:13])(=[O:12])[CH2:10][CH2:11][N:6]2[CH:5]=[CH:4][CH:3]=1.C1(C)C=CC=CC=1.[O:21]1[CH2:26][CH2:25][O:24][C:23]2[CH:27]=[C:28]([C:31]([NH2:33])=[O:32])[CH:29]=[CH:30][C:22]1=2.C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C=O)C.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]>[O:12]=[S:9]1(=[O:13])[CH2:10][CH2:11][N:6]2[CH:5]=[CH:4][CH:3]=[C:2]([NH:33][C:31]([C:28]3[CH:29]=[CH:30][C:22]4[O:21][CH2:26][CH2:25][O:24][C:23]=4[CH:27]=3)=[O:32])[C:7]2=[N:8]1 | 1 |
[NH2:1][C:2]1[CH:18]=[CH:17][C:5]([O:6][C:7]2[CH:8]=[N:9][CH:10]=[C:11]([CH:16]=2)[C:12]([NH:14][CH3:15])=[O:13])=[CH:4][C:3]=1F.COC(=O)C1C=C(OC2C=CC(N)=C(F)C=2)C=NC=1>>[NH2:1][C:2]1[CH:18]=[CH:17][C:5]([O:6][C:7]2[CH:8]=[N:9][CH:10]=[C:11]([CH:16]=2)[C:12]([NH:14][CH3:15])=[O:13])=[CH:4][CH:3]=1 | 1 |
[CH2:1]([C:3]1[N:4]([CH2:9][CH2:10][NH2:11])[CH:5]=[C:6]([I:8])[N:7]=1)[CH3:2].[CH3:12][C:13]1[CH:14]=[C:15]([CH2:20][CH2:21][CH:22]=O)[CH:16]=[CH:17][C:18]=1[CH3:19]>>[CH3:12][C:13]1[CH:14]=[C:15]([CH2:20][CH2:21][CH:22]2[NH:11][CH2:10][CH2:9][N:4]3[C:3]([CH2:1][CH3:2])=[N:7][C:6]([I:8])=[C:5]23)[CH:16]=[CH:17][C:18]=1[CH3:19] | 1 |
[CH3:1][O:2][CH2:3][CH:4]([NH:16][C:17]([N:19]1[CH2:24][C:23](=[O:25])[NH:22][C:21]2[CH:26]=[CH:27][CH:28]=[N:29][C:20]1=2)=[O:18])[C:5]1[CH:10]=[CH:9][C:8]([O:11][C:12]([F:15])([F:14])[F:13])=[CH:7][CH:6]=1>CCCCCC.C(O)C>[CH3:1][O:2][CH2:3][C@H:4]([NH:16][C:17]([N:19]1[CH2:24][C:23](=[O:25])[NH:22][C:21]2[CH:26]=[CH:27][CH:28]=[N:29][C:20]1=2)=[O:18])[C:5]1[CH:6]=[CH:7][C:8]([O:11][C:12]([F:15])([F:13])[F:14])=[CH:9][CH:10]=1 | 2 |
C(C1=CC=CC=C1)OC1=CC=C(C=C1)O.C(CCCCCCCCC)OC1=CC=C(C(=O)Cl)C=C1>C1(=CC=CC=C1)C.C(C)OCC.ClCCl.CCN(CC)CC>C(CCCCCCCCC)OC1=CC=C(C(=O)OC2=CC=C(C=C2)OCC2=CC=CC=C2)C=C1 | 3 |
C(C)C1=C(C=CC=C1N1C(COCC1)=O)S(=O)(=O)Cl.N[C@@H](CNC(=O)C=1SC(=CC1)Cl)C(=O)N1[C@H](COCC1)C>ClCCl.C(C)(C)N(C(C)C)CC>C(C)C1=C(C=CC=C1N1C(COCC1)=O)S(=O)(=O)N[C@@H](CNC(=O)C=1SC(=CC1)Cl)C(=O)N1[C@H](COCC1)C | 3 |
C(C)C(CC)C1=NN(C=C1CCC(=O)OCC)C1=NC=C(C=C1)C(F)(F)F>C1CCCO1.CC(C)C[AlH]CC(C)C.CCCCCC>C(C)C(CC)C1=NN(C=C1CCCO)C1=NC=C(C=C1)C(F)(F)F | 3 |
C(C)(=O)[O-].[Bi+3].C(C)(=O)[O-].C(C)(=O)[O-]>C(CCCCCCCCCCC)S>C(CCCCCCCCCCC)[S-].[Bi+3].C(CCCCCCCCCCC)[S-].C(CCCCCCCCCCC)[S-] | 3 |
NCCN(C(OC(C)(C)C)=O)C.BrC=1SC2=C(N1)C=CC(=C2)C(=O)NC2=CC(=C(C=C2)OC)OC>C(C)(C)N(C(C)C)CC.CN1C(CCC1)=O>COC=1C=C(C=CC1OC)NC(=O)C1=CC2=C(N=C(S2)NCCN(C(OC(C)(C)C)=O)C)C=C1 | 3 |
[CH:1]1[C:6]([N+:7]([O-:9])=[O:8])=[CH:5][CH:4]=[C:3]([OH:10])[CH:2]=1.Br[CH2:12][CH:13]=[CH:14][CH2:15]Br.[C:17]([O-:20])([O-])=O.[K+].[K+].[OH2:23]>CC(C)=O>[N+:7]([C:6]1[CH:5]=[CH:4][C:3]([O:10][CH2:12][CH:13]=[CH:14][CH2:15][O:20][C:17]2[CH:2]=[CH:1][C:6]([N+:7]([O-:8])=[O:23])=[CH:5][CH:4]=2)=[CH:2][CH:1]=1)([O-:9])=[O:8] | 1 |
[CH:1]1[CH:6]=[C:5]2[C:7]([NH:9][C:10]([NH:12][C:4]2=[CH:3][CH:2]=1)=O)=[O:8].[Li]C(C)(C)C.C(=O)=O>C1COCC1.CCOC(C)=O>[CH:1]1[CH:2]=[CH:3][C:4]2[N:12]=[CH:10][NH:9][C:7](=[O:8])[C:5]=2[CH:6]=1 | 1 |
C(C)(C)(C)OC(=O)N[C@@H]1C2=CC=CC=C2CC12CCN(CC2)C2=CN=C1C(=N2)N(N=C1N([C@@H](C)C(=O)O)C)C1OCCCC1.N1(N=NC2=C1C=CC=C2)[O-].[NH4+]>N(C)(C)C=O.CCN=C=NCCCN(C)C>C(C)(C)(C)OC(N[C@@H]1C2=CC=CC=C2CC12CCN(CC2)C2=CN=C1C(=N2)N(N=C1N(C)[C@H](C(=O)N)C)C1OCCCC1)=O | 3 |
[C:1]([O:4][C:5]1[CH:26]=[CH:25][C:8]([O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:20]([O:22][CH2:23][CH3:24])=[O:21])=[CH:7][CH:6]=1)(=[O:3])[CH3:2].CC(C)([O-])C.[K+].[C:33](=O)([O:37]CC)[O:34][CH2:35][CH3:36]>O>[CH2:35]([O:34][C:33]([CH2:2][C:1]([O:4][C:5]1[CH:26]=[CH:25][C:8]([O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:20]([O:22][CH2:23][CH3:24])=[O:21])=[CH:7][CH:6]=1)=[O:3])=[O:37])[CH3:36] | 1 |
C(=CC(O[H])=O)(C)C.COC=1C=C(C=CC1)O>>COC1=CC=C2C(CC(OC2=C1)(C)C)=O | 3 |
[Cl:1][C:2]1[N:3]=[CH:4][CH:5]=[C:6]2[CH:10]=[CH:9][N:8]([C@@H:11]([C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=3)[C@H:12]([OH:16])[CH2:13][NH:14][CH3:15])[C:7]=12.[H][H]>C(O)C.[Pd]>[ClH:1].[ClH:1].[CH3:15][NH:14][CH2:13][C@@H:12]([OH:16])[C@H:11]([C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)[N:8]1[C:7]2=[CH:2][N:3]=[CH:4][CH:5]=[C:6]2[CH:10]=[CH:9]1 | 1 |
[CH3:1][C:2]1([CH3:16])[C:6]([CH3:8])([CH3:7])[O:5][B:4]([C:9]2[CH:14]=[CH:13][C:12]([NH2:15])=[CH:11][CH:10]=2)[O:3]1.[I-].[K+].C(=O)([O-])[O-].[K+].[K+].Cl[CH2:26][CH2:27][N:28]1[CH2:33][CH2:32][CH2:31][CH2:30][CH2:29]1>CC#N>[N:28]1([CH2:27][CH2:26][NH:15][C:12]2[CH:13]=[CH:14][C:9]([B:4]3[O:3][C:2]([CH3:16])([CH3:1])[C:6]([CH3:7])([CH3:8])[O:5]3)=[CH:10][CH:11]=2)[CH2:33][CH2:32][CH2:31][CH2:30][CH2:29]1 | 1 |
[O:1]1[CH2:5][CH2:4][O:3][CH:2]1[C:6]1[CH:10]=[CH:9][S:8][C:7]=1[S:11]([NH2:14])(=[O:13])=[O:12].C1([O:21][C:22](=O)[NH:23][C:24]2[N:29]=[C:28]([O:30][CH3:31])[N:27]=[C:26]([CH3:32])[N:25]=2)C=CC=CC=1.N12CCCN=C1CCCCC2.Cl>C(#N)C.O>[O:1]1[CH2:5][CH2:4][O:3][CH:2]1[C:6]1[CH:10]=[CH:9][S:8][C:7]=1[S:11]([NH:14][C:22]([NH:23][C:24]1[N:29]=[C:28]([O:30][CH3:31])[N:27]=[C:26]([CH3:32])[N:25]=1)=[O:21])(=[O:13])=[O:12] | 1 |
C1OCC12CNC2.COC1=CC=C(CN(C=2C(=C(C(=C(C2)C=2C(=C3N=C(N=C4C3=C(O[C@H]([C@@H]3[C@@H]5CC[C@H](CN43)N5C(=O)OC(C)(C)C)C)N2)OCC2(C(C2)(F)F)CO)F)C(F)(F)F)C)F)CC2=CC=C(C=C2)OC)C=C1>O.ClCCl.C[N+]1(CCOCC1)[O-].C(C)(=O)[O-].[Na+].C(#N)[BH3-].[Na+].[Ru](=O)(=O)(=O)[O-].C(CC)[N+](CCC)(CCC)CCC>C1OCC12CN(C2)CC2(C(C2)(F)F)COC=2N=C1C3=C(O[C@H]([C@@H]4[C@@H]5CC[C@H](CN14)N5C(=O)OC(C)(C)C)C)N=C(C(=C3N2)F)C2=C(C(=C(C(=C2)N(CC2=CC=C(C=C2)OC)CC2=CC=C(C=C2)OC)F)C)C(F)(F)F | 3 |
S(=O)(=O)(O)O.[N+:6]([O-:9])(O)=[O:7].[N:10]1[C:19]2[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=2)[CH:13]=[C:12]([OH:20])[CH:11]=1.[OH-].[Na+]>O>[N+:6]([C:15]1[CH:16]=[CH:17][CH:18]=[C:19]2[C:14]=1[CH:13]=[C:12]([OH:20])[CH:11]=[N:10]2)([O-:9])=[O:7] | 2 |
BrC=1C(=NC=CC1)[C@@](C(CO)O)(C1=CC(=C(C=C1)OC(F)(F)F)F)NS(=O)C(C)(C)C>O.CC(=O)C.I(=O)(=O)(=O)[O-].[Na+]>BrC=1C(=NC=CC1)[C@@](C=O)(C1=CC(=C(C=C1)OC(F)(F)F)F)N[S@](=O)C(C)(C)C | 3 |
[S-]C#N.[K+].[N+](=O)([O-])C1=CC=C(C=C1)CC1=CC=C(N)C=C1>BrBr.C(C)(=O)O>[N+](=O)([O-])C1=CC=C(CC2=CC3=C(N=C(S3)N)C=C2)C=C1 | 3 |
C(C)(=O)OC(C)=O>C1CCCO1.C(=O)O>C(C)(C)OC1=NN(C=C1NC=O)C([2H])([2H])[2H] | 3 |
COC(=O)C=1C=C(COC=2C=C(C=C(C(=O)OC)C2)C(=O)OC)C=CC1>CCO[H].[OH-].[K+]>C(=O)(O)C=1C=C(COC=2C=C(C=C(C(=O)O)C2)C(=O)O)C=CC1 | 3 |
C(C1=CC=CC=C1)N([C@H]1C(N(C1)CC(C)C)=O)CC1=CC=CC=C1>C1CCCO1.[HH].[Pd].CC(C)O.[OH-].[Pd+2].[OH-]>N[C@H]1C(N(C1)CC(C)C)=O | 3 |
CI.C(C1=CC=CC=C1)N1C[C@H](OC[C@H]1C1=CC=CC=C1)CO>N(C)(C)C=O.[H-].[Na+]>C(C1=CC=CC=C1)N1C[C@H](OC[C@H]1C1=CC=CC=C1)COC | 3 |
[CH2:1]([N:8]([C:15]([C:17]1([CH2:20][NH:21][C:22]([O:24]C(C)(C)C)=O)[CH2:19][CH2:18]1)=[O:16])[C@H:9](C(OC)=O)[CH3:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C[Al](C)C>C(Cl)Cl.C(O)(C(F)(F)F)=O.C1(C)C=CC=CC=1>[CH2:1]([N:8]1[C@@H:9]([CH3:10])[C:22](=[O:24])[NH:21][CH2:20][C:17]2([CH2:19][CH2:18]2)[C:15]1=[O:16])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
C(C1=CC=CC=C1)N1C[C@H](NCC1)C.ClC1=NC=CC(=N1)C(=O)OC(C)(C)C>>C(C1=CC=CC=C1)N1C[C@H](N(CC1)C1=NC=CC(=N1)C(=O)OC(C)(C)C)C | 5 |
[Cl:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[NH:9][C:10](=O)[CH:11]([CH3:13])[CH3:12].B.CO.Cl>C1COCC1>[Cl:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[NH:9][CH2:10][CH:11]([CH3:13])[CH3:12] | 1 |
[CH3:1][O:2][C:3](=[O:26])[CH2:4][CH2:5][CH:6]([O:8][C:9]1[C:14]([F:15])=[CH:13][C:12](B2OC(C)(C)C(C)(C)O2)=[CH:11][C:10]=1[F:25])[CH3:7].Cl[C:28]1[CH:33]=[CH:32][CH:31]=[C:30]([O:34][CH:35]2[CH2:38][CH2:37][CH2:36]2)[N:29]=1.C([O-])([O-])=O.[Na+].[Na+].N#N>COCCOC.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>[CH3:1][O:2][C:3](=[O:26])[CH2:4][CH2:5][CH:6]([O:8][C:9]1[C:10]([F:25])=[CH:11][C:12]([C:28]2[CH:33]=[CH:32][CH:31]=[C:30]([O:34][CH:35]3[CH2:38][CH2:37][CH2:36]3)[N:29]=2)=[CH:13][C:14]=1[F:15])[CH3:7] | 2 |
[O:1]1[C:6]2[CH:7]=[CH:8][C:9]([N:11]3[CH2:15][CH:14]([CH2:16][CH2:17][NH:18][CH2:19][CH2:20][C:21]4[C:30]5[C:25](=[CH:26][CH:27]=[C:28]([O:31][CH3:32])[N:29]=5)[N:24]=[CH:23][CH:22]=4)[O:13][C:12]3=[O:33])=[CH:10][C:5]=2[O:4][CH2:3][CH2:2]1.CCN(C(C)C)C(C)C.Br[CH2:44][C:45]([O:47][C:48]([CH3:51])([CH3:50])[CH3:49])=[O:46].[Na+].[I-]>C1COCC1>[C:48]([O:47][C:45](=[O:46])[CH2:44][N:18]([CH2:17][CH2:16][CH:14]1[O:13][C:12](=[O:33])[N:11]([C:9]2[CH:8]=[CH:7][C:6]3[O:1][CH2:2][CH2:3][O:4][C:5]=3[CH:10]=2)[CH2:15]1)[CH2:19][CH2:20][C:21]1[C:30]2[C:25](=[CH:26][CH:27]=[C:28]([O:31][CH3:32])[N:29]=2)[N:24]=[CH:23][CH:22]=1)([CH3:51])([CH3:50])[CH3:49] | 1 |
F[B-](F)(F)F.C[O+:7]([CH3:9])[CH3:8].CN(C1C2C(N(C)C)=CC=CC=2C=CC=1)C.[C:26]([O:32][CH2:33][C@@H:34]([NH:48][C:49]([O:51][C:52]([CH3:55])([CH3:54])[CH3:53])=[O:50])[C@H:35]([C:38]1[CH:43]=[CH:42][C:41]([C:44]([F:47])([F:46])[F:45])=[CH:40][CH:39]=1)CO)(=[O:31])[C:27]([CH3:30])([CH3:29])[CH3:28]>C(Cl)Cl>[C:26]([O:32][CH2:33][C@@H:34]([NH:48][C:49]([O:51][C:52]([CH3:55])([CH3:54])[CH3:53])=[O:50])[C@H:35]([C:38]1[CH:39]=[CH:40][C:41]([C:44]([F:47])([F:46])[F:45])=[CH:42][CH:43]=1)[CH2:8][O:7][CH3:9])(=[O:31])[C:27]([CH3:29])([CH3:30])[CH3:28] | 2 |
C(CC)OC1=CC(=C(C=C1)C1=NC=C(C=N1)CC(=O)OC)C(F)(F)F>BrN1C(CCC1=O)=O.C(Cl)(Cl)(Cl)Cl.CC(C)(C#N)/N=N/C(C)(C)C#N>BrC(C(=O)OC)C=1C=NC(=NC1)C1=C(C=C(C=C1)OCCC)C(F)(F)F | 3 |
[N+](=O)([O-])C(CN(CC(=O)O)CC(C)([N+](=O)[O-])[N+](=O)[O-])(C)[N+](=O)[O-]>S(O)(O)(=O)=O.CO[H]>CC(N(CC(C)([N+](=O)[O-])[N+](=O)[O-])CC(C)([N+](=O)[O-])[N+](=O)[O-])C(=O)O | 3 |
Br[C:2]1[C:24](=[O:25])[N:23]([CH:26]2[CH2:30][CH2:29][CH2:28][CH2:27]2)[C:5]2[N:6]=[C:7]([NH:10][C:11]3[CH:16]=[CH:15][C:14]([N:17]4[CH2:22]COCC4)=[CH:13][N:12]=3)[N:8]=[CH:9][C:4]=2[C:3]=1[CH3:31].C([Sn](CCCC)(CCCC)[C:37]([O:39][CH2:40][CH3:41])=[CH2:38])CCC.[C:50]1(C)[CH:55]=CC=[CH:52][CH:51]=1>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>[CH:26]1([N:23]2[C:5]3[N:6]=[C:7]([NH:10][C:11]4[N:12]=[CH:13][C:14]([N:17]5[CH2:22][CH2:52][CH2:51][CH2:50][CH2:55]5)=[CH:15][CH:16]=4)[N:8]=[CH:9][C:4]=3[C:3]([CH3:31])=[C:2]([C:37]([O:39][CH2:40][CH3:41])=[CH2:38])[C:24]2=[O:25])[CH2:30][CH2:29][CH2:28][CH2:27]1 | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:8]=[C:9]([Cl:12])[C:10]=1[CH3:11])[C:5](O)=[O:6].S(Cl)([Cl:15])=O.CN(C)C=O>C1(C)C=CC=CC=1>[Cl:1][C:2]1[CH:3]=[C:4]([CH:8]=[C:9]([Cl:12])[C:10]=1[CH3:11])[C:5]([Cl:15])=[O:6] | 1 |
C1(CCC1)OC1=C(C=C(C=C1)C(C)C)S(=O)(=O)N.C1(CC1)C1=CC2=C(C=C(O2)C(=O)O)C(=C1)F>C1CCCO1.C(=O)(C=1NC=CN1)C=1NC=CN1.C1CCC2=NCCCN2CC1>C1(CCC1)OC1=C(C=C(C=C1)C(C)C)S(=O)(=O)NC(=O)C=1OC2=C(C1)C(=CC(=C2)C2CC2)F | 3 |
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