smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
NC=1NCCCN1.C(C)(C)(C)OC([C@H](CNC(=O)C=1SC(=CC1)CCC(=O)OC)NC(=O)OCC12CC3CC(CC(C1)C3)C2)=O>>C(C)(C)(C)OC([C@H](CNC(=O)C=1SC(=CC1)CCC(NC=1NCCCN1)=O)NC(=O)OCC12CC3CC(CC(C1)C3)C2)=O | 5 |
FC1=CC=C(CN)C=C1.C(C)OC(=O)N(C1=C(C=C(C=C1[N+](=O)[O-])Br)F)C(=O)OCC>>FC1=C(C(=CC(=C1)NCC1=CC=C(C=C1)F)[N+](=O)[O-])NC(OCC)=O | 5 |
ClC1=C(C=CC(=C1)C(C)(C)C)O>>C(C)(C)(C)C1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)Cl | 5 |
[CH:1]1[CH:6]=[CH:5][C:4]([NH:7][C:8]2[CH:13]=[CH:12][C:11]([NH2:14])=[CH:10][CH:9]=2)=[CH:3][CH:2]=1.C1(C)C=CC=CC=1.C(=O)([O-])O.[Na+].Cl[CH2:28][C:29]1[CH:36]=[CH:35][C:32]([CH:33]=[CH2:34])=[CH:31][CH:30]=1>O>[NH:7]([C:8]1[CH:13]=[CH:12][C:11]([NH:14][CH2:28][C:29]2[CH:36]=[CH:35][C:32]([CH:33]=[CH2:34])=[CH:31][CH:30]=2)=[CH:10][CH:9]=1)[C:4]1[CH:3]=[CH:2][CH:1]=[CH:6][CH:5]=1 | 1 |
ClC=1C(=CC(=C(C1)NC1CCN(CC1)C(=O)OC(C)(C)C)[N+](=O)[O-])F>CCO[H].O.NN.[Ni]>NC1=C(C=C(C(=C1)F)Cl)NC1CCN(CC1)C(=O)OC(C)(C)C | 3 |
[Cl:1][C:2]1[CH:7]=[C:6](F)[C:5]([F:9])=[CH:4][C:3]=1[N+:10]([O-:12])=[O:11].C([O-])([O-])=O.[K+].[K+].[CH3:19][NH:20][CH3:21].Cl>C(#N)C>[Cl:1][C:2]1[CH:7]=[C:6]([N:20]([CH3:21])[CH3:19])[C:5]([F:9])=[CH:4][C:3]=1[N+:10]([O-:12])=[O:11] | 2 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[CH:6]=[C:7]([N+:9]([O-])=O)[CH:8]=1>C(O)C.[Pd]>[CH3:1][O:2][C:3]1[CH:8]=[C:7]([NH2:9])[CH:6]=[C:5]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[CH:4]=1 | 1 |
N1(N=NC=C1)CCO>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>C1(=CC=C(C=C1)S(=O)(=O)OCCN1N=NC=C1)C | 3 |
Cl.[NH2:2][C:3]1[C:18]([Cl:19])=[CH:17][C:6]([C:7]([NH:9][CH2:10][CH2:11][N:12]([CH2:15][CH3:16])[CH2:13][CH3:14])=[O:8])=[C:5]([OH:20])[CH:4]=1.C(=O)([O-])[O-].[K+].[K+].O.Br[CH2:29][C:30](=[O:34])[CH:31]([CH3:33])[CH3:32]>CN(C=O)C>[NH2:2][C:3]1[C:18]([Cl:19])=[CH:17][C:6]([C:7]([NH:9][CH2:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16])=[O:8])=[C:5]([O:20][CH2:29][C:30](=[O:34])[CH:31]([CH3:33])[CH3:32])[CH:4]=1 | 1 |
BrC1=C(C=C(C=C1)NC(C)=O)[N+](=O)[O-]>>NC=1C=C(C=CC1Br)NC(C)=O | 5 |
CN([C@H]1CNCC1)C.FC1=CC(=C(C=C1[N+](=O)[O-])NC1=NC=CC(=N1)C1=CNC2=CC=CC=C12)OC>C(C)(C)N(C(C)C)CC.CN(C(C)=O)C>CN([C@H]1CN(CC1)C1=CC(=C(C=C1[N+](=O)[O-])NC1=NC=CC(=N1)C1=CNC2=CC=CC=C12)OC)C | 3 |
[Mg].IC.Br[C:5]1[CH:13]=[CH:12][C:8]2[S:9][CH:10]=[CH:11][C:7]=2[CH:6]=1.II.IC.BrC1C=CC2SC=CC=2C=1.[CH3:28][CH2:29][C:30](=[O:33])[CH2:31][CH3:32]>CCOCC>[S:9]1[CH:10]=[CH:11][C:7]2[CH:6]=[C:5]([C:30]([OH:33])([CH2:31][CH3:32])[CH2:29][CH3:28])[CH:13]=[CH:12][C:8]1=2 | 2 |
COCCBr.C1(CCCC1)C(=O)OC>C1CCCO1.C(CCC)[Li].C(C)(C)NC(C)C.CCCCCC.CCCC(C)C.CCC(C)CC>COCCC1(CCCC1)C(=O)OC | 3 |
CS(=O)(=O)Cl.BrC1=CC=C(C=C1)NC(=O)C1=CC2=CC=C(C=C2C=C1)CO>N(C)(C)C=O.CCN(CC)CC>BrC1=CC=C(C=C1)NC(=O)C1=CC2=CC=C(C=C2C=C1)CN(C)C | 3 |
N=1C=NN2C1C=C(C=C2)OC2=C(C=C(C=C2)NC2=NC=NC1=CC=C(C=C21)NC=2OCC(N2)(C)CO[Si](C2=CC=CC=C2)(C2=CC=CC=C2)C(C)(C)C)C>>N=1C=NN2C1C=C(C=C2)OC2=C(C=C(C=C2)NC2=NC=NC1=CC=C(C=C21)NC=2OCC(N2)(C)CO)C | 5 |
[H-].[Na+].[C:3]([C:7]1[CH:8]=[C:9]([NH:26][S:27]([CH3:30])(=[O:29])=[O:28])[C:10]([O:24][CH3:25])=[C:11]([NH:13][C:14](=[O:23])[C:15]2[CH:20]=[CH:19][C:18]([CH3:21])=[C:17]([OH:22])[CH:16]=2)[CH:12]=1)([CH3:6])([CH3:5])[CH3:4].[H][H].[Cl:33][C:34]1[CH:39]=[C:38](I)[CH:37]=[CH:36][N:35]=1>CN(C)C=O>[C:3]([C:7]1[CH:8]=[C:9]([NH:26][S:27]([CH3:30])(=[O:29])=[O:28])[C:10]([O:24][CH3:25])=[C:11]([NH:13][C:14](=[O:23])[C:15]2[CH:20]=[CH:19][C:18]([CH3:21])=[C:17]([O:22][C:38]3[CH:37]=[CH:36][N:35]=[C:34]([Cl:33])[CH:39]=3)[CH:16]=2)[CH:12]=1)([CH3:6])([CH3:4])[CH3:5] | 1 |
N(=[N+]=[N-])CC1CN(C2=C(S1)N=CC=C2)C2=CC=C(C=C2)C(F)(F)F>CO[H].[Pd]C>FC(C1=CC=C(C=C1)N1C2=C(SC(C1)CN)N=CC=C2)(F)F | 3 |
OC=1C=C2C=CC(=CC2=CC1)C(=O)O.COC(C(CC1=CC=CC=C1)N)=O>N(C)(C)C=O.CCN(CC)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>COC([C@@H](NC(=O)C1=CC2=CC=C(C=C2C=C1)O)CC1=CC=CC=C1)=O | 3 |
C(C)(C)C1=C(N)C=CC=C1>BrBr.ClCCl>BrC1=CC(=C(C=C1)N)C(C)C | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:16]3[CH:15]=[CH:14][CH:13]=[C:12]([C:17](Cl)=[O:18])[C:11]=3[CH:10]=[N:9]2)=[CH:4][CH:3]=1.[Br:20][C:21]1[N:26]=[CH:25][C:24](NC)=[CH:23][CH:22]=1.C[CH2:30][N:31](C(C)C)C(C)C>CN(C1C=CN=CC=1)C.C(Cl)Cl>[Br:20][C:21]1[N:26]=[CH:25][C:24]([CH2:30][NH:31][C:17]([C:12]2[C:11]3[CH:10]=[N:9][N:8]([C:5]4[CH:6]=[CH:7][C:2]([F:1])=[CH:3][CH:4]=4)[C:16]=3[CH:15]=[CH:14][CH:13]=2)=[O:18])=[CH:23][CH:22]=1 | 1 |
C(OC([N:8]1[CH2:13][CH:12]=[C:11]([C:14]2[C:22]3[S:21][C:20]([NH:23][C:24]([O:26][CH3:27])=[O:25])=[N:19][C:18]=3[C:17]([O:28][CH3:29])=[CH:16][CH:15]=2)[CH2:10][CH2:9]1)=O)(C)(C)C>Cl.CO>[CH3:27][O:26][C:24](=[O:25])[NH:23][C:20]1[S:21][C:22]2[C:14]([C:11]3[CH2:12][CH2:13][NH:8][CH2:9][CH:10]=3)=[CH:15][CH:16]=[C:17]([O:28][CH3:29])[C:18]=2[N:19]=1 | 1 |
BrC=1C=C(C(=NC1)N)OCC1CC1>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].B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+].C1(CCCCC1)P(C1CCCCC1)C1CCCCC1>C1(CC1)COC=1C(=NC=C(C1)B1OC(C(O1)(C)C)(C)C)N | 3 |
CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1.COC=1C=C(C=CC1)NC1=NC2=C(N1)C=CC(=C2)C(=O)OC>>COC=1C=C(C=CC1)NC1=NC2=C(N1)C=CC(=C2)CO | 5 |
Cl.NCC(=O)N1CCN(CC1)C(C1=C(C=CC=C1)C(F)(F)F)=O.FC1=C(C=CC(C1)(C(=O)O)F)C1=CC=CC=C1>N(C)(C)C=O.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>O=C(CNC(=O)C1(CC(=C(C=C1)C1=CC=CC=C1)F)F)N1CCN(CC1)C(C1=C(C=CC=C1)C(F)(F)F)=O | 3 |
C(C(C)C)(=O)OC(C(C)C)=O.N(=[N+]=[N-])[C@@H](C[C@@H](C(C)C)C(C1=CC(=CC(=C1)OCCCOC)OC)O)[C@@H]1C[C@H](C(O1)=O)C(C)C>>N(=[N+]=[N-])[C@@H](CC([C@@H](C1=CC(=CC(=C1)OCCCOC)OC)OC(C(C)C)=O)C(C)C)[C@H]1OC([C@@H](C1)C(C)C)=O | 5 |
N1C=NC(=C1)C(=O)OC.ClCC=1N=C2N(N=CC=C2)C1>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>N=1C(=CN2N=CC=CC21)CN2C=NC(=C2)C(=O)OC | 3 |
[NH:1]1[CH2:11][CH2:10][CH:4]([C:5]([O:7][CH2:8][CH3:9])=[O:6])[CH2:3][CH2:2]1.C=O.[CH:14](O)=O.Cl>>[CH3:14][N:1]1[CH2:2][CH2:3][CH:4]([C:5]([O:7][CH2:8][CH3:9])=[O:6])[CH2:10][CH2:11]1 | 1 |
COCOC1=CC=CC=2SC(=CC21)C(=O)NNC(C)=O>>COCOC1=CC=CC=2SC(=CC21)C=2OC(=NN2)C | 5 |
ClC=1OC=2C(N1)=C(C=CC2)C(=O)OC.C(C=C)N1C[C@@H](NCC1)CC(C)C>[H-].[Na+].COCCOC>C(C=C)N1C[C@@H](N(CC1)C=1OC=2C(N1)=C(C=CC2)C(=O)OC)CC(C)C | 3 |
C[S-].[Na+].C(C)(C)(C)OC(=O)N1C[C@@H](CC1)[C@@H]1OC1>>C(C)(C)(C)OC(=O)N1C[C@@H](CC1)[C@@H](CSC)O | 5 |
Cl[C:2]1[CH:7]=[C:6]([O:8][C:9]2[C:10]([CH3:15])=[N:11][CH:12]=[CH:13][CH:14]=2)[CH:5]=[CH:4][N:3]=1.[C:16](=[O:23])([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])[NH2:17].P([O-])([O-])([O-])=O.[K+].[K+].[K+]>O.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].CC1(C)C2C=CC=C(P(C3C=CC=CC=3)C3C=CC=CC=3)C=2OC2C1=CC=CC=2P(C1C=CC=CC=1)C1C=CC=CC=1>[CH3:15][C:10]1[C:9]([O:8][C:6]2[CH:5]=[CH:4][N:3]=[C:2]([NH:17][C:16](=[O:23])[O:18][C:19]([CH3:22])([CH3:21])[CH3:20])[CH:7]=2)=[CH:14][CH:13]=[CH:12][N:11]=1 | 1 |
CC1OC(C(C2C=CC=CC=2)=O)=NC=1.C1([Mg]Br)C=CC=CC=1.[CH:23]1([C:29]([C:37]2[O:38][C:39]([CH3:42])=[CH:40][N:41]=2)([C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)[OH:30])[CH2:28][CH2:27][CH2:26][CH2:25][CH2:24]1>>[CH3:42][C:39]1[O:38][C:37]([C:29]([C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[OH:30])=[N:41][CH:40]=1 | 2 |
C([N:8]1[CH2:11][CH:10]([C:12]([OH:14])=O)[CH2:9]1)(OC(C)(C)C)=O.F[P-](F)(F)(F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2[N:27]=[CH:28][CH:29]=[CH:30]C=2N=N1.C1(N)CC1.C(N(CC)C(C)C)(C)C.[ClH:52]>CN(C=O)C.CC(O)=O>[Cl-:52].[CH:28]1([NH:27][C:12]([CH:10]2[CH2:9][NH2+:8][CH2:11]2)=[O:14])[CH2:30][CH2:29]1 | 2 |
FC1(CC(C1)C1=NC(=NO1)C=1C=CC(=C(C1)NC(=O)C1=CN=C2N1C=C(C=C2)CO[Si](C(C)C)(C(C)C)C(C)C)C)F>>FC1(CC(C1)C1=NC(=NO1)C=1C=CC(=C(C1)NC(=O)C1=CN=C2N1C=C(C=C2)CO)C)F | 5 |
C[O:2][C:3](=[O:15])[CH2:4][C:5]1[CH:14]=[CH:13][CH:12]=[C:11]2[C:6]=1[CH:7]=[CH:8][N:9]=[CH:10]2.[OH-].[Na+]>C(O)(=O)C>[CH:10]1[C:11]2[C:6](=[C:5]([CH2:4][C:3]([OH:15])=[O:2])[CH:14]=[CH:13][CH:12]=2)[CH:7]=[CH:8][N:9]=1 | 1 |
C(C)(C)(C)C1=CC=C(N)C=C1.BrC1=CC=C(C=C1)C1=NOC=C1>>C(C)(C)(C)C1=CC=C(C=C1)NC(C1=CC=C(C=C1)C1=NOC=C1)=O | 5 |
[C:1]([C:4]1[CH:5]=[CH:6][C:7]2[O:12][C:11]([CH3:14])([CH3:13])[CH:10]=[C:9]([C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][N:16]=3)[C:8]=2[CH:21]=1)(=[O:3])[CH3:2].C([O:24]CC)C>>[C:1]([C:4]1[CH:5]=[CH:6][C:7]2[O:12][C:11]([CH3:14])([CH3:13])[CH:10]=[C:9]([C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][N+:16]=3[O-:24])[C:8]=2[CH:21]=1)(=[O:3])[CH3:2] | 1 |
[C:1]1([CH:7]([NH2:15])[CH2:8][C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Br[CH2:17][C:18]#[CH:19].[C:20](=O)([O-])[O-].[K+].[K+].[CH3:26][CH2:27]O>[OH-].[Na+]>[CH2:17]([N:15]([CH:7]([C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1)[CH2:8][C:9]1[CH:10]=[CH:11][CH:12]=[CH:13][CH:14]=1)[CH2:20][C:27]#[CH:26])[C:18]#[CH:19] | 1 |
C[C@@H]1CN(C[C@@H](O1)C)C1=C(C2=C(C(=NS2)C)C=C1CO)F>>C[C@@H]1CN(C[C@@H](O1)C)C1=C(C2=C(C(=NS2)C)C=C1C=O)F | 5 |
[Cl:1][C:2]1[C:7]([Cl:8])=[C:6]([O:9][CH3:10])[CH:5]=[CH:4][C:3]=1[SH:11].[H-].[Na+].[CH2:14](Br)[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1>CN(C)C=O>[CH2:14]([S:11][C:3]1[CH:4]=[CH:5][C:6]([O:9][CH3:10])=[C:7]([Cl:8])[C:2]=1[Cl:1])[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1 | 1 |
Cl.FC1=CC2=C(C(=NO2)C2CCNCC2)C=C1.ClCCC1=C(N=C2N(C1=O)CCCC2OC(C)=O)C>CO[H].C(C)(C)NC(C)C>FC1=CC2=C(C(=NO2)C2CCN(CC2)CCC2=C(N=C3N(C2=O)CCCC3O)C)C=C1 | 3 |
C(C)OP(OCC)=O.BrC=1C=CC=C2C(=CNC12)C1=NC(=NC=C1C(F)(F)F)N[C@@H]1CN(CCC1)C(=O)OC(C)(C)C>C1CCCO1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)OP(=O)(OCC)C=1C=CC=C2C(=CNC12)C1=NC(=NC=C1C(F)(F)F)N[C@@H]1CN(CCC1)C(=O)OC(C)(C)C | 3 |
[NH2:1][CH2:2][CH:3]1[C:8]2[CH:9]=[CH:10][C:11]([CH3:15])=[C:12]([O:13]C)[C:7]=2[CH2:6][CH:5]([CH:16]2[CH2:21][CH2:20][CH2:19][CH2:18][CH2:17]2)[O:4]1.[BrH:22]>C(O)(=O)C>[BrH:22].[NH2:1][CH2:2][C@H:3]1[C:8]2[CH:9]=[CH:10][C:11]([CH3:15])=[C:12]([OH:13])[C:7]=2[CH2:6][C@@H:5]([CH:16]2[CH2:21][CH2:20][CH2:19][CH2:18][CH2:17]2)[O:4]1 | 1 |
[N+](=O)([O-])C1=C(C=C(C=C1)OCCCN1CCCC1)O>CO[H].[HH].[Pd]>NC1=C(C=C(C=C1)OCCCN1CCCC1)O | 3 |
N[C@H]1[C@H](COCC1)NC(OC(C)(C)C)=O.CC1=CC(=NC(=C1)C)NC(=O)C1=CSC2=C1N=C(N=C2)Cl>ClCCl.O1CCOCC1.C(C)(C)N(C(C)C)CC>C(C)(C)(C)OC(N[C@H]1COCC[C@H]1NC=1N=CC2=C(N1)C(=CS2)C(NC2=NC(=CC(=C2)C)C)=O)=O | 3 |
[N+](=O)([O-])C1=CC=C(C=C1)C1=NOC(=N1)C(F)(F)F>N(C)(C)C=O.O.NN>[N+](=O)([O-])C1=CC=C(C=C1)C1=NC(=NN1)C(F)(F)F | 3 |
[CH:1]1([CH2:4][O:5][C:6]2[N:11]=[C:10]([C:12]([OH:14])=O)[CH:9]=[CH:8][C:7]=2[N:15]2[CH2:18][C:17]([F:20])([F:19])[CH2:16]2)[CH2:3][CH2:2]1.Cl.CC1(C)N[CH2:27][CH2:26][NH:25][C:24]1=[O:29].CN(C(ON1N=[N:46][C:41]2[CH:42]=[CH:43]C=[CH:45][C:40]1=2)=[N+](C)C)C.[B-](F)(F)(F)F.CCN(C(C)C)C(C)C>>[CH:1]1([CH2:4][O:5][C:6]2[N:11]=[C:10]([C:12]([N:46]3[CH2:27][CH2:26][NH:25][C:24](=[O:29])[C:41]3([CH2:40][CH3:45])[CH2:42][CH3:43])=[O:14])[CH:9]=[CH:8][C:7]=2[N:15]2[CH2:18][C:17]([F:20])([F:19])[CH2:16]2)[CH2:2][CH2:3]1 | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:11][CH:10]([CH3:12])[C:9]1([CH2:20][CH:21]=O)[C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH2:23]([NH2:30])[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].O>O1CCCC1>[C:1]([O:5][C:6]([N:8]1[CH2:11][CH:10]([CH3:12])[C:9]1([CH2:20][CH2:21][NH:30][CH2:23][C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1)[C:13]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:14])=[O:7])([CH3:2])([CH3:3])[CH3:4] | 1 |
I([O-])(=O)(=O)=[O:2].[Na+].[CH2:7]([S:9][CH2:10][CH2:11][CH2:12][O:13][C:14]1[CH:38]=[CH:37][C:17]([C:18]([N:20]2[CH2:25][CH2:24][CH:23]([N:26]3[C:36]4[C:31](=[CH:32][CH:33]=[CH:34][CH:35]=4)[CH2:30][CH2:29][C:27]3=[O:28])[CH2:22][CH2:21]2)=[O:19])=[CH:16][CH:15]=1)[CH3:8]>O.CO>[CH2:7]([S:9]([CH2:10][CH2:11][CH2:12][O:13][C:14]1[CH:38]=[CH:37][C:17]([C:18]([N:20]2[CH2:21][CH2:22][CH:23]([N:26]3[C:36]4[C:31](=[CH:32][CH:33]=[CH:34][CH:35]=4)[CH2:30][CH2:29][C:27]3=[O:28])[CH2:24][CH2:25]2)=[O:19])=[CH:16][CH:15]=1)=[O:2])[CH3:8] | 1 |
CS(=O)(=O)OCCC1=CC(=CC=C1)C1=CC=CC=C1.CN1C=NC=2N=CN(C(C12)=O)CC=1OC(NN1)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].[I-].C(CCC)[N+](CCCC)(CCCC)CCCC>CN1C=NC=2N=CN(C(C12)=O)CC=1OC(N(N1)CCC1=CC(=CC=C1)C1=CC=CC=C1)=O | 3 |
ClC1=C(C=C(C(=O)OC(C)(C)C)C=C1[N+](=O)[O-])O.ClC1=C(C=C(C(=O)OCC)C=C1[N+](=O)[O-])OCC(CO)OCOC>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>ClC1=C(C=C(C(=O)OC(C)(C)C)C=C1[N+](=O)[O-])OCC(COC1=C(C(=CC(=C1)C(=O)OCC)[N+](=O)[O-])Cl)OCOC | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH3:14])[NH:9][C:8](=O)[N:7]=[C:6]2[Cl:16].S(Cl)(Cl)=O>CN(C=O)C>[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH3:14])[N:9]=[CH:8][N:7]=[C:6]2[Cl:16] | 1 |
[CH2:1]([O:8][C:9]1[CH:17]=[CH:16][C:12]([C:13]([OH:15])=O)=[CH:11][CH:10]=1)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7].C(Cl)(=O)C(Cl)=O.[NH:24]([C:26]([O:28][C:29]([CH3:32])([CH3:31])[CH3:30])=[O:27])[NH2:25].CCN(C(C)C)C(C)C.Cl>C(Cl)Cl.CN(C=O)C>[CH2:1]([O:8][C:9]1[CH:10]=[CH:11][C:12]([C:13]([NH:25][NH:24][C:26]([O:28][C:29]([CH3:32])([CH3:31])[CH3:30])=[O:27])=[O:15])=[CH:16][CH:17]=1)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7] | 2 |
[CH2:1]([O:8][C:9]([N:11]1[CH2:15][C:14]([F:17])([F:16])[CH2:13][C@H:12]1[C:18]([NH2:21])=[N:19][OH:20])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:22][O:23][C:24]([C:26]#[C:27][C:28]([O:30][CH3:31])=[O:29])=[O:25]>C(Cl)(Cl)Cl>[CH3:22][O:23][C:24](=[O:25])[C:26]([O:20][N:19]=[C:18]([NH2:21])[C@@H:12]1[CH2:13][C:14]([F:17])([F:16])[CH2:15][N:11]1[C:9]([O:8][CH2:1][C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1)=[O:10])=[CH:27][C:28]([O:30][CH3:31])=[O:29] | 1 |
[OH-].[K+].[C:3]([C:5]1[CH:10]=[CH:9][C:8]([C:11]2[C:21]([CH2:22][C:23]3[N:28]=[C:27]([C:29]([O:31]C)=[O:30])[CH:26]=[CH:25][CH:24]=3)=[C:14]3[CH:15]=[CH:16][C:17]([O:19][CH3:20])=[CH:18][N:13]3[N:12]=2)=[CH:7][CH:6]=1)#[N:4].Cl>CO>[C:3]([C:5]1[CH:6]=[CH:7][C:8]([C:11]2[C:21]([CH2:22][C:23]3[N:28]=[C:27]([C:29]([OH:31])=[O:30])[CH:26]=[CH:25][CH:24]=3)=[C:14]3[CH:15]=[CH:16][C:17]([O:19][CH3:20])=[CH:18][N:13]3[N:12]=2)=[CH:9][CH:10]=1)#[N:4] | 2 |
Cl[C:2]1[N:7]=[C:6]([O:8][CH3:9])[CH:5]=[CH:4][N:3]=1.[N:10]1[CH:11]=[CH:12][N:13]2[CH:18]=[C:17]([C:19]#[N:20])[CH:16]=[CH:15][C:14]=12.C(=O)([O-])[O-].[K+].[K+].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>O1CCOCC1.C(O)C.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[CH3:9][O:8][C:6]1[CH:5]=[CH:4][N:3]=[C:2]([C:12]2[N:13]3[CH:18]=[C:17]([C:19]#[N:20])[CH:16]=[CH:15][C:14]3=[N:10][CH:11]=2)[N:7]=1 | 2 |
C(C)(C)(C)OC(N(C)C1=CC(=CC=C1)C(NC1=CC(=CC=C1)CNC1=NC=NC2=C(C=CC=C12)C(N)=O)=O)=O>Cl.O1CCOCC1>CNC=1C=C(C(=O)NC=2C=C(CNC3=NC=NC4=C(C=CC=C34)C(=O)N)C=CC2)C=CC1 | 3 |
C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[Br:20]Br.[Cl:22][C:23]1[CH:28]=[CH:27][C:26]([CH2:29][CH:30]([O:33][CH2:34][CH:35]([CH3:37])[CH3:36])[CH2:31]O)=[CH:25][CH:24]=1>C(Cl)Cl>[Br:20][CH2:31][CH:30]([O:33][CH2:34][CH:35]([CH3:37])[CH3:36])[CH2:29][C:26]1[CH:27]=[CH:28][C:23]([Cl:22])=[CH:24][CH:25]=1 | 2 |
COC1=CC=C(C=C1)C1=CC(=C(S1)C(=O)NC1(CCC1)C(=O)OC)NC(=O)NC1=C(C=C(C=C1C)C)C>>COC1=CC=C(C=C1)C1=CC(=C(S1)C(=O)NC1(CCC1)C(=O)O)NC(=O)NC1=C(C=C(C=C1C)C)C | 5 |
[CH3:1][C:2]1[O:3][C:4]2[CH:15]=[CH:14][CH:13]=[CH:12][C:5]=2[C:6](=[O:11])[C:7]=1[N+:8]([O-])=O>[Pd].C(O)C>[CH3:1][C:2]1[O:3][C:4]2[CH:15]=[CH:14][CH:13]=[CH:12][C:5]=2[C:6](=[O:11])[C:7]=1[NH2:8] | 1 |
CCN(C(C)C)C(C)C.[CH2:10]([O:12][C:13]1[C:22]([O:23][CH3:24])=[CH:21][C:20]2[C:19](C3C=CC(C(O)=O)=CC=3)=[N:18][C@@H:17]3[CH2:34][CH2:35][S:36][CH2:37][C@@H:16]3[C:15]=2[CH:14]=1)[CH3:11].Cl.[F:39][C:40]1[CH:45]=[CH:44][C:43]([C:46]2[S:54][C:53]3[C:52](=[O:55])[N:51]([CH:56]4[CH2:61][CH2:60][NH:59][CH2:58][CH2:57]4)[C:50](=[O:62])[N:49]([CH2:63][C:64]4[CH:69]=[CH:68][C:67]([CH3:70])=[C:66]([F:71])[CH:65]=4)[C:48]=3[CH:47]=2)=[C:42]([O:72][CH3:73])[CH:41]=1.CN(C(ON1N=N[C:84]2[CH:85]=[CH:86][CH:87]=[CH:88][C:83]1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[C:98](=O)(O)[O-:99].[Na+]>C(Cl)Cl>[CH2:10]([O:12][C:13]1[C:22]([O:23][CH3:24])=[CH:21][C:20]2[C:19]([C:87]3[CH:88]=[CH:83][C:84]([C:98]([N:59]4[CH2:60][CH2:61][CH:56]([N:51]5[C:52](=[O:55])[C:53]6[S:54][C:46]([C:43]7[CH:44]=[CH:45][C:40]([F:39])=[CH:41][C:42]=7[O:72][CH3:73])=[CH:47][C:48]=6[N:49]([CH2:63][C:64]6[CH:69]=[CH:68][C:67]([CH3:70])=[C:66]([F:71])[CH:65]=6)[C:50]5=[O:62])[CH2:57][CH2:58]4)=[O:99])=[CH:85][CH:86]=3)=[N:18][C@@H:17]3[CH2:34][CH2:35][S:36][CH2:37][C@@H:16]3[C:15]=2[CH:14]=1)[CH3:11] | 2 |
FC(S(=O)(=O)OC=1CCN(CC1)C(=O)OC(C)(C)C)(F)F.BrC=1C=CC2=C(N=C(O2)N)C1>>NC=1OC2=C(N1)C=C(C=C2)C2=CCN(CC2)C(=O)OC(C)(C)C | 5 |
N[C@@H]1CC[C@H](CC1)O.NC1CCC(CC1)O.OC(C=1C=C(C=CC1)NC(=O)C=1N(N=C(C1)C(F)(F)F)C1=CC(=CC=C1)C#N)C1=CC=CC=C1>CC#N.ClCCl.ClS(Cl)=O>C(#N)C=1C=C(C=CC1)N1N=C(C=C1C(=O)NC1=CC(=CC=C1)C(C1=CC=CC=C1)N[C@@H]1CC[C@H](CC1)O)C(F)(F)F | 3 |
ClC1=CC2=C(SC=C2CN2C(N(C3=C2C=CC=C3)C(=C)C)=O)C=C1>>ClC1=CC2=C(SC=C2CN2C(NC3=C2C=CC=C3)=O)C=C1 | 5 |
BrCCCOC.C(C1=CC=CC=C1)OC1=CC=C2CCC(NC2=C1)=O>>C(C1=CC=CC=C1)OC1=CC=C2CCC(N(C2=C1)CCCOC)=O | 5 |
[N:1]([C@H:4]1[C:7](=[O:8])[N:6]([CH2:9][C:10]2[CH:15]=[CH:14][C:13]([O:16][CH3:17])=[CH:12][C:11]=2[O:18][CH3:19])[C@H:5]1[C:20]([O:22][CH3:23])=[O:21])=[N+]=[N-].[H][H].C(N(CC)CC)C.[O:33]([CH2:40][C:41](Cl)=[O:42])[C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1>[Pd].C(Cl)Cl.CCOCC.C(O)C>[CH3:19][O:18][C:11]1[CH:12]=[C:13]([O:16][CH3:17])[CH:14]=[CH:15][C:10]=1[CH2:9][N:6]1[C:7](=[O:8])[C@H:4]([NH:1][C:41](=[O:42])[CH2:40][O:33][C:34]2[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=2)[C@@H:5]1[C:20]([O:22][CH3:23])=[O:21] | 1 |
OC=1C=C(C(=O)OC)C=CC1.C(C)(C)(C)OC([C@@H](C)O)=O>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OCC)C(=O)OCC>COC(C1=CC(=CC=C1)O[C@@H](C)C(=O)OC(C)(C)C)=O | 3 |
[C:1]([O:5][C:6]([NH:8][C@H:9]([C:37]([O:39][C:40]([CH3:43])([CH3:42])[CH3:41])=[O:38])[CH2:10][C@H:11]([CH2:19][C:20]1[CH:25]=[CH:24][C:23]([CH2:26][CH2:27][CH2:28][O:29][Si](C(C)(C)C)(C)C)=[CH:22][N:21]=1)[C:12]([O:14][C:15]([CH3:18])([CH3:17])[CH3:16])=[O:13])=[O:7])([CH3:4])([CH3:3])[CH3:2].C(O)(=O)C.[F-].C([N+](CCCC)(CCCC)CCCC)CCC>O1CCCC1>[C:1]([O:5][C:6]([NH:8][C@H:9]([C:37]([O:39][C:40]([CH3:43])([CH3:42])[CH3:41])=[O:38])[CH2:10][C@H:11]([CH2:19][C:20]1[CH:25]=[CH:24][C:23]([CH2:26][CH2:27][CH2:28][OH:29])=[CH:22][N:21]=1)[C:12]([O:14][C:15]([CH3:17])([CH3:16])[CH3:18])=[O:13])=[O:7])([CH3:2])([CH3:3])[CH3:4] | 1 |
N1CCC[C@H]1C(O)=O.C(=O)([O-])[O-].[K+].[K+].[CH3:15][O:16][C:17]1[C:21]([C:22]([O:24][CH2:25][CH3:26])=[O:23])=[CH:20][NH:19][N:18]=1.Br[C:28]1[CH:33]=[CH:32][C:31]([C:34]([F:37])([F:36])[F:35])=[CH:30][CH:29]=1>CS(C)=O.O.[Cu]I>[CH3:15][O:16][C:17]1[C:21]([C:22]([O:24][CH2:25][CH3:26])=[O:23])=[CH:20][N:19]([C:28]2[CH:33]=[CH:32][C:31]([C:34]([F:37])([F:36])[F:35])=[CH:30][CH:29]=2)[N:18]=1 | 2 |
[OH:1][CH:2]1[C:8]2=[N:9][C:10]3[CH:11]=[CH:12][CH:13]=[CH:14][C:15]=3[CH:16]=[C:7]2[CH2:6][NH:5][CH2:4][CH2:3]1.Cl[C:18]([O:20][CH2:21][CH3:22])=[O:19]>>[CH2:21]([O:20][C:18]([N:5]1[CH2:4][CH2:3][CH:2]([O:1][C:18]([O:20][CH2:21][CH3:22])=[O:19])[C:8]2=[N:9][C:10]3[CH:11]=[CH:12][CH:13]=[CH:14][C:15]=3[CH:16]=[C:7]2[CH2:6]1)=[O:19])[CH3:22] | 1 |
[C:1]([O:5][C:6]([NH:8][C@@:9]1([C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25])[C@H:14]([OH:15])[C@H:13]([OH:16])[C@@H:12]2[C@H:10]1[C@H:11]2[C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])=[O:7])([CH3:4])([CH3:3])[CH3:2].[Cl:31][C:32]1[CH:33]=[C:34]([CH:37]=[CH:38][C:39]=1[Cl:40])[CH2:35]Br.[OH-].[Na+].O>ClCCl.CCCC[N+](CCCC)(CCCC)CCCC.[Cl-]>[C:1]([O:5][C:6]([NH:8][C@@:9]1([C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25])[C@H:14]([O:15][CH2:35][C:34]2[CH:37]=[CH:38][C:39]([Cl:40])=[C:32]([Cl:31])[CH:33]=2)[C@H:13]([OH:16])[C@@H:12]2[C@H:10]1[C@H:11]2[C:17]([O:19][C:20]([CH3:21])([CH3:23])[CH3:22])=[O:18])=[O:7])([CH3:4])([CH3:2])[CH3:3] | 1 |
[C:1]([C:5]1[CH:13]=[C:12]([C:14]([CH3:17])([CH3:16])[CH3:15])[CH:11]=[C:7]([C:8](O)=[O:9])[C:6]=1[OH:18])([CH3:4])([CH3:3])[CH3:2].[Cl:19][C:20]1[CH:26]=[C:25]([N+:27]([O-:29])=[O:28])[CH:24]=[CH:23][C:21]=1[NH2:22]>>[C:1]([C:5]1[C:6]([OH:18])=[C:7]([CH:11]=[C:12]([C:14]([CH3:15])([CH3:17])[CH3:16])[CH:13]=1)[C:8]([NH:22][C:21]1[CH:23]=[CH:24][C:25]([N+:27]([O-:29])=[O:28])=[CH:26][C:20]=1[Cl:19])=[O:9])([CH3:4])([CH3:3])[CH3:2] | 2 |
C1COCCN1.NC=1C=C(C(=NC1)C)C1=CC(=NC(=C1)F)NCCO>O.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC.CS(=O)C>NC=1C=C(C(=NC1)C)C1=CC(=NC(=C1)N1CCOCC1)NCCO | 3 |
FC(S(=O)(=O)O[Si](C)(C)C)(F)F.C1(CC1)N(C(=O)[C@@H]1O[C@@H](CN(C1)C(=O)OC(C)(C)C)C(=O)OC)[C@H](C)C=1SC(=C(C1)CCCNC(=O)OC)C1=CC=CC=C1>>C1(CC1)N(C(=O)[C@@H]1O[C@@H](CNC1)C(=O)OC)[C@H](C)C=1SC(=C(C1)CCCNC(=O)OC)C1=CC=CC=C1 | 5 |
CC1=C(C=CC(=C1)C(=O)N1C=C2N(CC3=C1C=CC=C3)C(=CC2)C(=O)NCC2CN(CCC2)C(=O)OC(C)(C)C)C2=C(C=CC=C2)C>>CC1=C(C=CC(=C1)C(=O)N1CC=2N(CC3=C1C=CC=C3)C(=CC2)C(=O)NCC2CNCCC2)C2=C(C=CC=C2)C | 5 |
BrC=1C=NC=C(C1)Br.C1(=CC=CC=C1)C.C1CCOC1.COC(C(NC(C1=C(C=CC=C1)C(F)(F)F)=O)NC)=O>>BrC=1C(=NC=C(C1)Br)C(CNC(C1=C(C=CC=C1)C(F)(F)F)=O)=O | 5 |
CC1=C(C(=CC(=C1)C(F)(F)F)[N+](=O)[O-])I>BrN1C(CCC1=O)=O.C(Cl)(Cl)(Cl)Cl.CC(C)(C#N)/N=N/C(C)(C)C#N>BrCC1=C(C(=CC(=C1)C(F)(F)F)[N+](=O)[O-])I | 3 |
C(OC)(OC)OC.C(#N)C1=CC=C(OC=2C=CC(=NC2)C(C(CN(N)C(N)=S)(O)C2=C(C=C(C=C2)F)F)(F)F)C=C1>>FC1=C(C=CC(=C1)F)C(C(F)(F)C1=CC=C(C=N1)OC1=CC=C(C#N)C=C1)(CN1N=CN=C1S)O | 3 |
BrCC=1C(=NC(=CC1)C(F)(F)F)C.BrC=1C=2N(C=CC1C1=CC=C(C=C1)Cl)C(NN2)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>BrC=1C=2N(C=CC1C1=CC=C(C=C1)Cl)C(N(N2)CC=2C(=NC(=CC2)C(F)(F)F)C)=O | 3 |
BrC=1C=NC=2C(CCC2C1)O.O1C=NC=C1C1=NN(C2=CC=C(C=C12)O)COCC[Si](C)(C)C>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OCC)C(=O)OCC>BrC=1C=C2C(=NC1)C(CC2)OC=2C=C1C(=NN(C1=CC2)COCC[Si](C)(C)C)C2=CN=CO2 | 3 |
C(C=C)SC1CC(N1C(C(=S)OCC1=CC=C(C=C1)[N+](=O)[O-])=C(C(C(C)(C)C)=O)OC1=CC=C(C=C1)F)=O>ClC=1C=C(C(=O)OO)C=CC1>C(C=C)S(=O)C1CC(N1C(C(=S)OCC1=CC=C(C=C1)[N+](=O)[O-])=C(C(C(C)(C)C)=O)OC1=CC=C(C=C1)F)=O | 3 |
[NH:1]1[C:9]2[C:4](=[CH:5][C:6]([C:10]([O:12][CH3:13])=[O:11])=[CH:7][CH:8]=2)[CH:3]=[CH:2]1.Br[CH2:15][C:16]1[CH:21]=[CH:20][C:19]([Br:22])=[CH:18][CH:17]=1.[H-].[Na+].CO>CN(C=O)C>[Br:22][C:19]1[CH:20]=[CH:21][C:16]([CH2:15][N:1]2[C:9]3[C:4](=[CH:5][C:6]([C:10]([O:12][CH3:13])=[O:11])=[CH:7][CH:8]=3)[CH:3]=[CH:2]2)=[CH:17][CH:18]=1 | 1 |
[CH3:1][C:2]([CH2:12][CH2:13][CH2:14][CH:15]([CH3:22])[CH2:16][CH2:17][CH2:18][CH:19]([CH3:21])[CH3:20])=[CH:3][C:4]([O:6][CH2:7][CH:8]([CH2:10][OH:11])[OH:9])=[O:5].O.CC(CCCC(C)CCCC(C)CCCC(C)C)=CCCCO[C@H]([C@@H](CO)O)CO>>[CH3:1][C:2]([CH2:12][CH2:13][CH2:14][CH:15]([CH3:22])[CH2:16][CH2:17][CH2:18][CH:19]([CH3:21])[CH3:20])=[CH:3][C:4]([O:6][CH2:7][CH:8]([CH2:10][OH:11])[OH:9])=[O:5] | 1 |
C[O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[CH2:9][O:8][CH2:7][C:6]2([CH3:14])[CH3:13].BrB(Br)Br.O>C(Cl)Cl>[CH3:13][C:6]1([CH3:14])[C:5]2[C:10](=[CH:11][CH:12]=[C:3]([OH:2])[CH:4]=2)[CH2:9][O:8][CH2:7]1 | 1 |
ClC(Cl)(Cl)C[O:4][C:5](=O)[NH:6][C:7]1[N:8]=[C:9]2[CH:14]=[CH:13][C:12]([O:15][C:16]3[CH:21]=[CH:20][CH:19]=[C:18]([NH:22][C:23](=[O:34])[C:24]4[CH:29]=[CH:28][CH:27]=[C:26]([C:30]([F:33])([F:32])[F:31])[CH:25]=4)[CH:17]=3)=[N:11][N:10]2[CH:35]=1.[CH3:39][N:40]1[CH2:45][CH2:44][NH:43][CH2:42][CH2:41]1.C(N(C(C)C)C(C)C)(C)C>CS(C)=O>[CH3:39][N:40]1[CH2:45][CH2:44][N:43]([C:5]([NH:6][C:7]2[N:8]=[C:9]3[CH:14]=[CH:13][C:12]([O:15][C:16]4[CH:21]=[CH:20][CH:19]=[C:18]([NH:22][C:23](=[O:34])[C:24]5[CH:29]=[CH:28][CH:27]=[C:26]([C:30]([F:33])([F:31])[F:32])[CH:25]=5)[CH:17]=4)=[N:11][N:10]3[CH:35]=2)=[O:4])[CH2:42][CH2:41]1 | 2 |
C1(=CC=CC=C1)C/C=C/B(O)O.C(C1=CC=CC=C1)NC(=O)C1=C(N=C(S1)C1=NC=C(N=C1)Br)C>>C(C1=CC=CC=C1)NC(=O)C1=C(N=C(S1)C1=NC=C(N=C1)\C=C\CC1=CC=CC=C1)C | 5 |
COC=1C=C(CN)C=CC1.C(C)(C)(C)OC(=O)N[C@H]([C@H]1CO1)CC1=CC=CC=C1>>C(C)(C)(C)OC(N[C@H]([C@@H](CNCC1=CC(=CC=C1)OC)O)CC1=CC=CC=C1)=O | 5 |
N1C=CC2=CC=CN=C12.O1CCOC12CC=C(CC2)C2=CNC1=CC=CC=C21>>O1CCOC12CC=C(CC2)C2=NNC1=CC=CC=C21 | 3 |
BrC=1C=C(C(=NC1)Cl)[N+](=O)[O-].CC(=CC)[Mg]Br>C1CCCO1>BrC1=C2C(=C(N=C1)Cl)NC(=C2C)C | 3 |
[CH3:1][C:2]1[CH:3]=[C:4]([C:12](=O)[CH2:13][C:14](=O)[C:15]([F:18])([F:17])[F:16])[CH:5]=[CH:6][C:7]=1[C:8]([F:11])([F:10])[F:9].[NH2:21][C:22]1[N:23]=[CH:24][NH:25][C:26]=1[C:27]#[N:28]>>[CH3:1][C:2]1[CH:3]=[C:4]([C:12]2[CH:13]=[C:14]([C:15]([F:18])([F:17])[F:16])[N:23]3[CH:24]=[N:25][C:26]([C:27]#[N:28])=[C:22]3[N:21]=2)[CH:5]=[CH:6][C:7]=1[C:8]([F:11])([F:10])[F:9] | 1 |
O[C@H](C(=O)O)C(C)C>S(O)(O)(=O)=O>O[C@H](C(=O)OC)C(C)C | 3 |
COC(=O)C=1N=C(C2=CC(=CC=C2C1O)OC1=CC=CC=C1)C#N.C(C)(C)(C)OC(C(CN)C1=CC=CC=C1)=O>>C(C)(C)(C)OC(C(CNC(=O)C=1N=C(C2=CC(=CC=C2C1O)OC1=CC=CC=C1)C#N)C1=CC=CC=C1)=O | 5 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)N.BrCC1=C(N=NC(=C1CBr)Cl)Cl>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>ClC1=NN=C(C2=C1CN(C2)C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)Cl | 3 |
[Cl-].[CH3:2][O:3]C[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[Li+].C[Si]([N-][Si](C)(C)C)(C)C.[CH2:34]([N:41]1[CH2:46][CH:45]=[C:44]([C:47]([CH3:51])([CH3:50])[CH:48]=O)[CH2:43][CH2:42]1)[C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1.Cl>O1CCCC1.O>[CH2:34]([N:41]1[CH2:46][CH:45]=[C:44]([C:47]([CH3:51])([CH3:50])[CH2:48][CH:2]=[O:3])[CH2:43][CH2:42]1)[C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1 | 1 |
C([O:5][C:6]([CH:8]1[CH2:11][N:10]([CH2:12][C:13]2[CH:18]=[C:17]([NH:19][C@@H:20]([C:23]3[CH:28]=[C:27]([CH3:29])[C:26]([Cl:30])=[C:25]([CH3:31])[CH:24]=3)[CH2:21][CH3:22])[CH:16]=[CH:15][C:14]=2[Cl:32])[CH2:9]1)=[O:7])(C)(C)C.Cl>C(Cl)Cl>[Cl:32][C:14]1[CH:15]=[CH:16][C:17]([NH:19][C@@H:20]([C:23]2[CH:28]=[C:27]([CH3:29])[C:26]([Cl:30])=[C:25]([CH3:31])[CH:24]=2)[CH2:21][CH3:22])=[CH:18][C:13]=1[CH2:12][N:10]1[CH2:9][CH:8]([C:6]([OH:7])=[O:5])[CH2:11]1 | 1 |
C(C)(C)(C)OC(=O)N1[C@@H]2CC[C@H]([C@H]1C1=NC3=C(N1)C1=CC=C(C=C1CC3)Br)C2>ClC=1C(C(=C(C(C1Cl)=O)C#N)C#N)=O>C(C)(C)(C)OC(=O)N1[C@@H]2CC[C@H]([C@H]1C1=NC3=C(N1)C1=CC=C(C=C1C=C3)Br)C2 | 3 |
N[C@@H](CC)C1=NC2=CC=CC(=C2C(N1C1CC1)=O)Cl.ClC1=C(C(=NC=N1)N)C=1OC[C@@H](N1)C>>NC1=C(C(=NC=N1)N[C@@H](CC)C1=NC2=CC=CC(=C2C(N1C1CC1)=O)Cl)C=1OC[C@@H](N1)C | 5 |
C(C1=CC=CC=C1)N1[C@@H]([C@H](OCC1)O)C1=CC=CC=C1.FC(C=1C=C(CBr)C=C(C1)C(F)(F)F)(F)F>C1CCCO1.[H-].[Na+].[I-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(C1=CC=CC=C1)N1[C@@H]([C@H](OCC1)OCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CC=CC=C1 | 3 |
[CH:1]([N:4]1[C:8]2=[N:9][CH:10]=[C:11]([C:15](OCC)=O)[C:12]([NH:13][NH2:14])=[C:7]2[CH:6]=[N:5]1)([CH3:3])[CH3:2].C([N:22]1[C:26]2=[N:27][CH:28]=[C:29]([C:33](OCC)=O)C(NN)=C2C=N1)C.C(OC(=NC#N)CC)C.C(OC=NC#N)C.C(N1C2N=CC3C(=O)NC4N(N=C(SC)N=4)C=3C=2C=N1)C.[NH:75]1[CH2:80][CH2:79][O:78][CH2:77][CH2:76]1.CN(C)CCCN.ClC1C2C=NC3N(C(C)C)N=CC=3C=2N2N=C(CC)N=C2N=1>>[CH2:29]([C:28]1[N:27]=[C:26]2[N:22]=[C:15]([N:75]3[CH2:80][CH2:79][O:78][CH2:77][CH2:76]3)[C:11]3[CH:10]=[N:9][C:8]4[N:4]([CH:1]([CH3:2])[CH3:3])[N:5]=[CH:6][C:7]=4[C:12]=3[N:13]2[N:14]=1)[CH3:33] | 1 |
[F:1][C:2]1[CH:27]=[CH:26][C:5]([CH2:6][N:7]2[C:15]3[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=3)[CH:9]=[C:8]2[C:16]([N:18]2[CH2:23][CH2:22][CH:21]([CH:24]=O)[CH2:20][CH2:19]2)=[O:17])=[CH:4][CH:3]=1.[CH3:28][C@@H:29]([NH2:36])[C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1.C([BH3-])#N.[Na+].C(O)(=O)C>C1COCC1>[F:1][C:2]1[CH:27]=[CH:26][C:5]([CH2:6][N:7]2[C:15]3[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=3)[CH:9]=[C:8]2[C:16]([N:18]2[CH2:23][CH2:22][CH:21]([CH2:24][NH:36][C@@H:29]([C:30]3[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=3)[CH3:28])[CH2:20][CH2:19]2)=[O:17])=[CH:4][CH:3]=1 | 1 |
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