smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C)(=O)OC(C)=O.[N+](=O)([O-])C=1C=CC=C2C(C=C(NC12)C1=CC(=CC=C1)C(F)(F)F)=O>ClCCl.CCN(CC)CC>C(C)(=O)OC1=CC(=NC2=C(C=CC=C12)[N+](=O)[O-])C1=CC(=CC=C1)C(F)(F)F | 3 |
[CH3:1][N:2]1[C:6]([C:7]([C:9]2[CH:14]=[CH:13][C:12]([CH3:15])=[CH:11][CH:10]=2)=[O:8])=[CH:5][CH:4]=[C:3]1[CH2:16][C:17]([OH:19])=[O:18].[Na].CN1C(C(C2C=CC(C)=CC=2)=O)=CC=C1CC#N.C([SH:41])C.Cl>>[CH2:16]([C:3]1[N:2]([CH3:1])[C:6]([C:7]([C:9]2[CH:10]=[CH:11][C:12]([CH3:15])=[CH:13][CH:14]=2)=[O:8])=[CH:5][CH:4]=1)[CH3:17].[S:41]1[CH:6]=[CH:5][CH:4]=[C:3]1[CH2:16][C:17]([O-:19])=[O:18] | 1 |
N([C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N([C@@H](C(C)C)C(=O)N1[C@H](C(=O)O)CCC1)C)C(=O)OCC1=CC=CC=C1.N1[C@H](C(=O)NC(C)C)CCC1>>N([C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N([C@@H](C(C)C)C(=O)N1[C@H](C(=O)N2[C@H](C(=O)NC(C)C)CCC2)CCC1)C)C(=O)OCC1=CC=CC=C1 | 5 |
COC=1C=C(C=NC1)N.BrC1=CC(=C2C(=N1)C(=NN2C(C)C)C)C=O>O.[Na+].[BH4-].CCO[H].O1CCOCC1.CC([O-])C.[Ti+4].CC([O-])C.CC([O-])C.CC([O-])C>BrC1=CC(=C2C(=N1)C(=NN2C(C)C)C)CNC=2C=NC=C(C2)OC | 3 |
CC1C=CC(S(O[CH2:12][CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=2[N:20]2[CH2:25][CH2:24][CH2:23][CH2:22][C:21]2=[O:26])(=O)=O)=CC=1.C(N(C(C)C)CC)(C)C.[CH3:36][O:37][C:38](=[O:45])[CH2:39][CH:40]1[CH2:44][CH2:43][NH:42][CH2:41]1>CN(C=O)C>[O:26]=[C:21]1[CH2:22][CH2:23][CH2:24][CH2:25][N:20]1[C:15]1[CH:16]=[CH:17][CH:18]=[CH:19][C:14]=1[CH2:13][CH2:12][N:42]1[CH2:43][CH2:44][CH:40]([CH2:39][C:38]([O:37][CH3:36])=[O:45])[CH2:41]1 | 1 |
CC(C)(S(=O)N[C@@H]1C[C@@H](CC12CCN(CC2)C(=O)OC(C)(C)C)F)C>Cl>Cl.Cl.F[C@H]1C[C@H](C2(C1)CCNCC2)N | 3 |
Cl[Si:2]1([CH3:6])[CH2:5][CH2:4][CH2:3]1.[C:7]([O:10][Si](C)(C)C)([CH3:9])=[CH2:8]>>[CH3:6][Si:2]1([O:10][C:7]([CH3:9])=[CH2:8])[CH2:5][CH2:4][CH2:3]1 | 1 |
[N+](=O)([O-])C=1C=CC2=C(C(=C(C(O2)(C)C)CN)N2C(C=CC=C2)=O)C1>O.ClCCl.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F.CCN(CC)CC>[N+](=O)([O-])C=1C=CC2=C(C(=C(C(O2)(C)C)CNC(C(F)(F)F)=O)N2C(C=CC=C2)=O)C1 | 3 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([S:10]([CH:13]2[CH2:15][CH2:14]2)(=[O:12])=[O:11])=[C:6]([NH:8][NH2:9])[CH:7]=1.[NH2:16][C:17]1[CH:25]=[CH:24][C:23]([O:26][C:27]([F:30])([F:29])[F:28])=[CH:22][C:18]=1[C:19](O)=[O:20].BrC1C(C)=CC(C(NNC2C=C(Cl)C=CC=2SCC)=O)=C([N+]([O-])=O)C=1>>[NH2:16][C:17]1[CH:25]=[CH:24][C:23]([O:26][C:27]([F:28])([F:29])[F:30])=[CH:22][C:18]=1[C:19]([NH:9][NH:8][C:6]1[CH:7]=[C:2]([Cl:1])[CH:3]=[CH:4][C:5]=1[S:10]([CH:13]1[CH2:15][CH2:14]1)(=[O:12])=[O:11])=[O:20] | 2 |
ClC1=C(C=CC=C1C1=C(C(=CC=C1)C1=CC=2N(C(C(=CN2)C=O)=O)C=C1)Cl)C1=CC=C(C(=N1)OC)CN(C(OC(C)(C)C)=O)C[C@H]1NC(CC1)=O>O.C1CCCO1.CO[H].C(C)(=O)O.C(O)CN.C(#N)[BH3-].[Na+]>ClC1=C(C=CC=C1C1=C(C(=CC=C1)C1=CC=2N(C(C(=CN2)CNCCO)=O)C=C1)Cl)C1=CC=C(C(=N1)OC)CN(C(OC(C)(C)C)=O)C[C@H]1NC(CC1)=O | 4 |
BrCC1=CC=2N=C(N=C(C2S1)N1CCOCC1)Cl.Cl.Cl.CS(=O)(=O)N1C(CNCC1)CN(C)C>>ClC=1N=C(C2=C(N1)C=C(S2)CN2CC(N(CC2)S(=O)(=O)C)CN(C)C)N2CCOCC2 | 5 |
N1(CCNCC1)C(=O)OCC1=CC=CC=C1.O=CCCC1=NC=CC(=C1)N1C2CN(CC1CC2)C(=O)OC(C)(C)C>O.ClCCl.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>C(C1=CC=CC=C1)OC(=O)N1CCN(CC1)CCCC1=NC=CC(=C1)N1C2CN(CC1CC2)C(=O)OC(C)(C)C | 3 |
C(C1=CC=CC=C1)N1CCC=2C(=C(C(=NC2C1)N1CC2(CN(C2)C(=O)OC(C)(C)C)CC1)C)C=1C(=CC=C2C=NN(C12)C)C>CCO[H].[HH].[OH-].[Pd+2].[OH-]>CN1N=CC2=CC=C(C(=C12)C1=C(C(=NC=2CNCCC12)N1CC2(CN(C2)C(=O)OC(C)(C)C)CC1)C)C | 3 |
[H-].[H-].[H-].[H-].[Li+].[Al+3].[CH3:7][C:8]1[S:9][C:10]2[CH:16]=[C:15]([C:17](OCC)=[O:18])[CH:14]=[CH:13][C:11]=2[N:12]=1.O.[OH-].[Na+]>C1COCC1>[CH3:7][C:8]1[S:9][C:10]2[CH:16]=[C:15]([CH2:17][OH:18])[CH:14]=[CH:13][C:11]=2[N:12]=1 | 1 |
ClCCSC1=NC=2N(C(N(C(C2N1)=O)CCCC[C@@H](C)O)=O)C>>O[C@@H](CCCCN1C(N(C=2N=C3N(C2C1=O)CCS3)C)=O)C | 5 |
C([O:3][C:4](=O)[C:5]1[CH:10]=[CH:9][C:8]([Br:11])=[CH:7][CH:6]=1)C.C(O)C.O.[NH2:17][NH2:18]>O>[Br:11][C:8]1[CH:9]=[CH:10][C:5]([C:4]([NH:17][NH2:18])=[O:3])=[CH:6][CH:7]=1 | 1 |
CON(C(C)=O)C>C1CCCO1.O(C(C)(C)C)C.[Cl-].[NH4+].C(C)(C)[Mg]Cl>BrC1=C(C=C(C=C1)C(C)=O)CO[Si](C)(C)C(C)(C)C | 3 |
C(C)(=O)N.C(CCCCC)OC1=CC=C(C(=O)OCC(=O)C2=CC=C(C=C2)C(=O)OC)C=C1>>C(CCCCC)OC1=CC=C(C=C1)C=1OC=C(N1)C1=CC=C(C(=O)OC)C=C1 | 5 |
N#N.C(OCC[C:8]1[CH:13]=[CH:12][N:11]=[C:10]([NH2:14])[C:9]=1[NH2:15])C.[N:16]([CH:19]1[CH2:24][CH2:23][N:22]([C:25]([O:27][CH2:28][CH3:29])=[O:26])[CH2:21][CH2:20]1)=[C:17]=[S:18].[O:30]1[CH2:34][CH2:33][CH2:32][CH2:31]1>>[CH2:31]([O:30][CH2:34][CH2:33][NH:14][C:10]1[C:9]([NH:15][C:17]([NH:16][CH:19]2[CH2:24][CH2:23][N:22]([C:25]([O:27][CH2:28][CH3:29])=[O:26])[CH2:21][CH2:20]2)=[S:18])=[CH:8][CH:13]=[CH:12][N:11]=1)[CH3:32] | 1 |
C(C1=CC=CC=C1)OC1=C(C=CC(=C1)COCC1=CC=CC=C1)C(C(C(=O)N1C(OCC1C1=CC=CC=C1)=O)CCC(C1=CC=C(C=C1)F)O[Si](C)(C)C(C)(C)C)NC1=CC=C(C=C1)F>C1(=CC=CC=C1)C.C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC.C[Si](C)(C)C(C(=O)N)[Si](C)(C)C>C(C1=CC=CC=C1)OC1=C(C=CC(=C1)COCC1=CC=CC=C1)C1C(C(N1C1=CC=C(C=C1)F)=O)CCC(C1=CC=C(C=C1)F)O[Si](C)(C)C(C)(C)C | 3 |
C(OC)(OC)OC.CC1(OC(=O)CC(=O)O1)C>>CC1(OC(C(C(O1)=O)=COC)=O)C | 3 |
C1(CCCC1)=O.CC1(CC(CC(C1)(C)C)C1=C(C=CC=C1)N1CCNCC1)C>C(C)(=O)OCC.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>C1(CCCC1)N1CCN(CC1)C1=C(C=CC=C1)C1CC(CC(C1)(C)C)(C)C | 3 |
[CH3:1][C@@H:2]1[C@H:4]([C:5]2[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=2)[C@:3]1([NH:14][S:15]([C:18]1[S:19][C:20]([N:23]2[CH:27]=[C:26]([C:28]#[C:29][Si](C)(C)C)[CH:25]=[N:24]2)=[CH:21][CH:22]=1)(=[O:17])=[O:16])[C:11]([OH:13])=[O:12].C(=O)([O-])[O-].[K+].[K+].S([O-])(O)(=O)=O.[K+]>CO>[C:28]([C:26]1[CH:25]=[N:24][N:23]([C:20]2[S:19][C:18]([S:15]([NH:14][C@:3]3([C:11]([OH:13])=[O:12])[C@@H:4]([C:5]4[CH:6]=[CH:7][CH:8]=[CH:9][CH:10]=4)[C@H:2]3[CH3:1])(=[O:16])=[O:17])=[CH:22][CH:21]=2)[CH:27]=1)#[CH:29] | 1 |
BrC1=CC=C(C=C1)CBr.BrC=1C=CC(=C(C1)S(=O)(=O)N[C@H]1CN(CC1)C(=O)OC(C)(C)C)OC>>BrC=1C=CC(=C(C1)S(=O)(=O)N([C@H]1CN(CC1)C(=O)OC(C)(C)C)CC1=CC=C(C=C1)Br)OC | 5 |
C(C)(C)(C)OC(=O)N1C(C(N(C(C1)C)CC1=CC=C2C(=NC=NC2=C1)N)=O)CCC>>NC1=NC=NC2=CC(=CC=C12)CN1C(C(NCC1C)CCC)=O | 5 |
CN(C)S([N:6]1[CH:10]=[C:9]([CH:11]([C:13]2[C:18]([F:19])=[CH:17][CH:16]=[CH:15][C:14]=2[CH2:20][CH3:21])O)[N:8]=[C:7]1[Si](C(C)(C)C)(C)C)(=O)=O.C([SiH](CC)CC)C.FC(F)(F)C(O)=O>ClCCl>[CH2:20]([C:14]1[CH:15]=[CH:16][CH:17]=[C:18]([F:19])[C:13]=1[CH2:11][C:9]1[N:8]=[CH:7][NH:6][CH:10]=1)[CH3:21] | 1 |
BrC1=CC(=C(N)C=C1)OC>S(O)(O)(=O)=O.[I-].[K+].N(=O)[O-].[Na+]>BrC=1C=CC(=C(C1)OC)I | 3 |
FC(C=1C=C(C=CC1)C1=C2CC(NC2=CC=C1)=O)(F)F.C(C)N(CCNC(=O)C1=C(NC(=C1)C)C=O)CC>CCO[H].N1CCCCC1>C(C)N(CCNC(=O)C1=C(NC(=C1)C)C=C1C(NC2=CC=CC(=C12)C1=CC(=CC=C1)C(F)(F)F)=O)CC | 3 |
[H-].[Na+].[I-].C[S+](C)(C)=O.[CH3:9]S(C)=O.[Cl:13][C:14]1[CH:35]=[CH:34][C:17]([CH2:18][O:19][C:20]([CH3:33])([CH3:32])[C:21](=[O:31])[CH2:22][O:23][C:24]2[CH:29]=[CH:28][CH:27]=[C:26]([Cl:30])[N:25]=2)=[CH:16][CH:15]=1>O>[Cl:13][C:14]1[CH:15]=[CH:16][C:17]([CH2:18][O:19][C:20]([C:21]2([CH2:22][O:23][C:24]3[CH:29]=[CH:28][CH:27]=[C:26]([Cl:30])[N:25]=3)[CH2:9][O:31]2)([CH3:32])[CH3:33])=[CH:34][CH:35]=1 | 1 |
Cl[C:2]1[N:7]=[C:6]([N:8]2[CH2:13][CH2:12][O:11][CH2:10][CH2:9]2)[N:5]=[C:4]([N:14]2[C:18]3[CH:19]=[CH:20][CH:21]=[CH:22][C:17]=3[N:16]=[C:15]2[CH:23]([F:25])[F:24])[N:3]=1.[NH2:26][C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1.O>O1CCOCC1>[F:24][CH:23]([F:25])[C:15]1[N:14]([C:4]2[N:5]=[C:6]([N:8]3[CH2:13][CH2:12][O:11][CH2:10][CH2:9]3)[N:7]=[C:2]([NH:26][C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=3)[N:3]=2)[C:18]2[CH:19]=[CH:20][CH:21]=[CH:22][C:17]=2[N:16]=1 | 1 |
Cl[C:2]1[C:3]2[C:4](=[CH:14][N:15](CC3C=CC(OC)=CC=3)[N:16]=2)[N:5]=[C:6]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[N:7]=1.[NH:26]1[C:34]2[C:29](=[CH:30][CH:31]=[C:32]([NH2:35])[CH:33]=2)[CH:28]=[N:27]1.Cl>CO.O1CCOCC1>[NH:26]1[C:34]2[C:29](=[CH:30][CH:31]=[C:32]([NH:35][C:2]3[C:3]4[NH:16][N:15]=[CH:14][C:4]=4[N:5]=[C:6]([C:8]4[CH:9]=[CH:10][CH:11]=[CH:12][CH:13]=4)[N:7]=3)[CH:33]=2)[CH:28]=[N:27]1 | 2 |
Cl[CH2:2][C:3]1[NH:4][C:5]2[CH:11]=[CH:10][CH:9]=[CH:8][C:6]=2[N:7]=1.[N:12]1[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=1[N:18]1[CH2:23][CH2:22][NH:21][CH2:20][CH2:19]1.C(N(CC)CC)C.[C:31]([OH:40])(=[O:39])[CH:32]([CH:34]([C:36]([OH:38])=[O:37])[OH:35])[OH:33]>CN1CCCC1=O.O>[C:36]([C@@H:34]([C@H:32]([C:31]([OH:40])=[O:39])[OH:33])[OH:35])([OH:38])=[O:37].[C:36]([C@@H:34]([C@H:32]([C:31]([OH:40])=[O:39])[OH:33])[OH:35])([OH:38])=[O:37].[N:12]1[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=1[N:18]1[CH2:19][CH2:20][N:21]([CH2:2][C:3]2[NH:4][C:5]3[CH:11]=[CH:10][CH:9]=[CH:8][C:6]=3[N:7]=2)[CH2:22][CH2:23]1 | 1 |
CC(=O)C1=CC=C(C=C1)Br>>BrC1=CC=C(C=C1)C(C)O | 5 |
Cl.ClC1=C(C=CC=C1Cl)N1CCNCC1.BrC=1C(=NC=2NC(CCC2C1)=O)OCCCC=O>CCN(CC)CC.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>BrC=1C=C2CCC(NC2=NC1OCCCCN1CCN(CC1)C1=C(C(=CC=C1)Cl)Cl)=O | 3 |
C[Si](C)(C)C=[N+]=[N-].C(C)(C)(C)OC(=O)N1C2CC(C1)(C2)C(=O)O>CO[H].C(C)(=O)O.OC(=O)CC(O)(CC(O)=O)C(O)=O>C12N(CC(C1)(C2)C(=O)OC)C(=O)OC(C)(C)C | 3 |
OC1=CC(=NC(=C1)C1=C(C=CC=C1)OC)C(=O)O>N(C)(C)C=O.ClS(Cl)=O>ClC1=CC(=NC(=C1)C1=C(C=CC=C1)OC)C(=O)OC | 3 |
[C:1]([O:7][CH2:8][CH3:9])(=[O:6])[CH2:2][C:3]([CH3:5])=O.[F:10][C:11]1[CH:12]=[C:13]([CH:16]=[CH:17][CH:18]=1)[CH:14]=O.[NH4+:19].[OH-:20]>CCO.C(Cl)Cl>[F:10][C:11]1[CH:12]=[C:13]([CH:14]2[C:2]([C:1]([O:7][CH2:8][CH3:9])=[O:6])=[C:3]([CH3:5])[NH:19][C:3]([CH3:5])=[C:2]2[C:1]([O:7][CH2:8][CH3:9])=[O:20])[CH:16]=[CH:17][CH:18]=1 | 2 |
CN(CCCC1=CC2=C(N(C(C=3C=CC=NC23)=O)COC)C=C1)C>>CN(CCCC1=CC2=C(N(C(C=3CCCNC23)=O)COC)C=C1)C | 5 |
C[O:2][C:3](=[O:26])[CH2:4][C@H:5]1[C:9]2[CH:10]=[CH:11][C:12]([O:14][C@H:15]3[C:23]4[C:18](=[C:19]([OH:25])[CH:20]=[CH:21][C:22]=4[F:24])[CH2:17][CH2:16]3)=[CH:13][C:8]=2[O:7][CH2:6]1.F[C:28]1[CH:35]=[CH:34][C:31]([C:32]#[N:33])=[CH:30][C:29]=1[CH3:36]>>[C:32]([C:31]1[CH:34]=[CH:35][C:28]([O:25][C:19]2[CH:20]=[CH:21][C:22]([F:24])=[C:23]3[C:18]=2[CH2:17][CH2:16][C@H:15]3[O:14][C:12]2[CH:11]=[CH:10][C:9]3[C@H:5]([CH2:4][C:3]([OH:2])=[O:26])[CH2:6][O:7][C:8]=3[CH:13]=2)=[C:29]([CH3:36])[CH:30]=1)#[N:33] | 1 |
C(C)SC1=C(N)C=CC(=C1)C=1C(=NN(C1)C)C1=C(C=CC=C1)F>>C(C)S(=O)(=O)C1=C(N)C=CC(=C1)C=1C(=NN(C1)C)C1=C(C=CC=C1)F | 5 |
C(#N)C=1C=C(C=NC1NC(C)C)C1=NC(=NO1)C=1C(=C2CCN(CC2=CC1)C(=O)OC(C)(C)C)C>>Cl.CC(C)NC1=NC=C(C=C1C#N)C1=NC(=NO1)C=1C(=C2CCNCC2=CC1)C | 5 |
[I:1][C:2]1[CH:7]=[CH:6][C:5]([S:8](Cl)(=[O:10])=[O:9])=[CH:4][CH:3]=1.[OH-:12].[K+:13]>O>[I:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([O-:10])(=[O:12])=[O:9])=[CH:4][CH:3]=1.[K+:13] | 2 |
C(C1=CC=CC=C1)N1CC=2NC(NC(C2C1C(F)(F)F)=O)=O>P(=O)(Cl)(Cl)Cl>C(C1=CC=CC=C1)N1CC=2N=C(N=C(C2C1C(F)(F)F)Cl)Cl | 3 |
[NH2:1][C:2]1[CH:6]=[C:5]([Cl:7])[S:4][C:3]=1[C:8]([O:10]C)=O.[CH:12]([NH2:14])=O>>[Cl:7][C:5]1[S:4][C:3]2[C:8](=[O:10])[NH:14][CH:12]=[N:1][C:2]=2[CH:6]=1 | 1 |
CC1(OC2=CC=C(C=C2C=C1)CC(=O)NC1CCCC2=CC=CC=C12)C>>CC1(OC=2C=CC(=CC2C2C1O2)CC(=O)NC2CCCC1=CC=CC=C21)C | 5 |
BrC=1C=C(C(=NC1)OC)Cl>B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.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].C(C)(=O)[O-].[K+]>ClC=1C(=NC=C(C1)B1OC(C(O1)(C)C)(C)C)OC | 3 |
COC(C(CC(=O)O)C1=CC(=C(C=C1)Cl)Cl)=O>C1(=CC=CC=C1)C.CCN(CC)CC.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2.[Sn](Cl)(Cl)(Cl)Cl>COC(C(CNC(=O)OC(C)(C)C)C1=CC(=C(C=C1)Cl)Cl)=O | 3 |
C(C)C1=CC2=C(N(C(N(C2=O)CC2(CCOCC2)O)=O)CC2=CC=C(C=C2)C=2C(=CC=CC2)C#N)S1>[N+](O[H])([H])([H])[H].[Cl-].CS(=O)C.C(O)([O-])=O.[Na+]>C(C)C1=CC2=C(N(C(N(C2=O)CC2(CCOCC2)O)=O)CC2=CC=C(C=C2)C2=C(C=CC=C2)C2=NOC(N2)=O)S1 | 3 |
C1(C2C=CC(C[NH:9][CH2:10][CH2:11][C:12]3[CH:17]=[CH:16][C:15](F)=[C:14]([C:19]([F:22])([F:21])[F:20])[CH:13]=3)=CC=2)CC1.[Cl:25][C:26]1[CH:27]=[C:28]([CH:31]=[CH:32][C:33]=1[C:34]([O:37][CH3:38])([CH3:36])[CH3:35])[CH:29]=O.FC(F)(F)C1C=C(CCN)C=CC=1.[BH4-].[Na+]>>[Cl:25][C:26]1[CH:27]=[C:28]([CH:31]=[CH:32][C:33]=1[C:34]([O:37][CH3:38])([CH3:36])[CH3:35])[CH2:29][NH:9][CH2:10][CH2:11][C:12]1[CH:17]=[CH:16][CH:15]=[C:14]([C:19]([F:20])([F:21])[F:22])[CH:13]=1 | 1 |
O=C1C2C(=CC=CC=2)C(=O)[N:3]1[CH2:12][CH2:13][CH2:14][CH2:15][N:16]([C:32]([NH:34][CH:35]([CH3:37])[CH3:36])=[O:33])[C@@H:17]1[CH2:22][CH2:21][CH2:20][N:19]([C:23]([NH:25][C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)=[O:24])[CH2:18]1.NN.[Cl:40][C:41]1[CH:46]=[C:45]([Cl:47])[CH:44]=[CH:43][C:42]=1[S:48](Cl)(=[O:50])=[O:49].CCN(CC)CC>CCO.C(Cl)Cl>[Cl:40][C:41]1[CH:46]=[C:45]([Cl:47])[CH:44]=[CH:43][C:42]=1[S:48]([NH:3][CH2:12][CH2:13][CH2:14][CH2:15][N:16]([C:32]([NH:34][CH:35]([CH3:37])[CH3:36])=[O:33])[C@@H:17]1[CH2:22][CH2:21][CH2:20][N:19]([C:23]([NH:25][C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)=[O:24])[CH2:18]1)(=[O:50])=[O:49] | 2 |
[Br:1][C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[CH:5]=[N:4][CH:3]=1.[N+:12]([O-])([O-])=O.[K+].CCCCCC.N>S(=O)(=O)(O)O.C(OCC)(=O)C>[Br:1][C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][C:10]=2[NH2:12])[CH:5]=[N:4][CH:3]=1 | 2 |
C(#N)C=1C=CC(=C(C1)[C@H](C)OC=1C(=NC2=CC=C(C=C2C1)F)NC(OC(C)(C)C)=O)N1N=CC=C1>>FC=1C=C2C=C(C(=NC2=CC1)NC(OC(C)(C)C)=O)O[C@@H](C)C1=C(C=CC(=C1)C(NO)=N)N1N=CC=C1 | 5 |
COC(C1=CC(=C(C=C1)Br)CBr)=O>>BrC1=C(C=C(C(=O)OC)C=C1)CNCCO | 5 |
Cl[CH2:2][C:3]1[NH:8][C:7](=[O:9])[NH:6][C:5](=[O:10])[CH:4]=1.[Na+].[C:12]1([S:18]([O-:20])=[O:19])[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1>CN(C=O)C>[C:12]1([S:18]([CH2:2][C:3]2[NH:8][C:7](=[O:9])[NH:6][C:5](=[O:10])[CH:4]=2)(=[O:20])=[O:19])[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1 | 2 |
BrCC(=O)C1=CC(=CC=C1)OC(F)(F)F>CO[H].B(F)(F)F.CCOCC.C([O-])([O-])=O.[Ag+2]>COCC(=O)C1=CC(=CC=C1)OC(F)(F)F | 3 |
[F:1][C:2]([F:11])([F:10])[C:3]1[CH:4]=[C:5]([CH:7]=[CH:8][CH:9]=1)[NH2:6].C[Al](C)C.C([O:18][C:19]([C:21]1[C:25]2[CH:26]=[CH:27][C:28]([O:30][CH2:31][C:32]3[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=3)=[CH:29][C:24]=2[O:23][N:22]=1)=O)C.[NH4+].[Cl-]>C1(C)C=CC=CC=1.C1COCC1.CCOC(C)=O>[F:1][C:2]([F:10])([F:11])[C:3]1[CH:4]=[C:5]([NH:6][C:19]([C:21]2[C:25]3[CH:26]=[CH:27][C:28]([O:30][CH2:31][C:32]4[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=4)=[CH:29][C:24]=3[O:23][N:22]=2)=[O:18])[CH:7]=[CH:8][CH:9]=1 | 1 |
ClC=1NC(C=CC1C(=O)O)=O>C1CCCO1.CO[H].CSC.B>ClC1=C(C=CC(=N1)O)CO | 3 |
BrC=1C=C(SC1)C(OCC)OCC>N(C)(C)C=O.C(C)OCC.C(CCC)[Li].CCCCCC>C(C)OC(C1=CC(=CS1)C=O)OCC | 3 |
FC1=C(OC=2N=C(C3=C(N2)OC(=N3)C3=CC(=C(C(=C3)C)OC)C)OCCC)C=CC=C1>ClCCl.B(Br)(Br)Br>FC1=C(OC=2N=C(C3=C(N2)OC(=N3)C3=CC(=C(C(=C3)C)O)C)OCCC)C=CC=C1 | 3 |
[CH3:1][O:2][C:3]([C@H:5]1[N:10]([C:11]2[N:16]=[C:15]([C:17]([F:20])([F:19])[F:18])[C:14]([C:21]([O:23][CH3:24])=[O:22])=[CH:13][N:12]=2)[CH2:9][CH2:8][N:7]([C:25](OC(C)(C)C)=O)[CH2:6]1)=[O:4].Cl.[CH2:33]([C:40]1[C:49]2[C:44](=[CH:45][CH:46]=[CH:47][CH:48]=2)C(Cl)=[N:42][N:41]=1)[C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1.[CH2:51](N(CC)CC)C>C(OCC)C.C(Cl)Cl>[CH2:24]([O:23][C:21]([C:14]1[C:15]([C:17]([F:20])([F:19])[F:18])=[N:16][C:11]([N:10]2[CH2:9][CH2:8][N:7]([C:25]3[C:48]4[C:49](=[CH:44][CH:45]=[CH:46][CH:47]=4)[C:40]([CH2:33][C:34]4[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=4)=[N:41][N:42]=3)[CH2:6][C@H:5]2[C:3]([O:2][CH3:1])=[O:4])=[N:12][CH:13]=1)=[O:22])[CH3:51] | 1 |
C(C1=CC=CC=C1)(=O)NC=1SC[C@H]2[C@@](N1)(CN(C2)C(=O)OC(C)(C)C)C2=CC=NS2>Cl.CC(C)O>Cl.S1N=CC=C1[C@@]12N=C(SC[C@@H]1CNC2)NC(C2=CC=CC=C2)=O | 3 |
[CH3:1][C:2]1[CH:11]=[C:10]([OH:12])[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3]=1[OH:13].[C:14](Cl)(=[O:21])[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1>N1C=CC=CC=1>[C:14]([O:12][C:10]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3]([OH:13])=[C:2]([CH3:1])[CH:11]=1)(=[O:21])[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1 | 1 |
C(CO)(=O)OC.CC1=C(C(=CC(=C1)C)C)S(=O)(=O)O.N=C1N(C=CC=2C=CC=NC12)N>CCO[H].[OH-].[Na+]>N=1C(=NN2C=CC=3C=CC=NC3C21)CO | 3 |
BrC=1C(=NC(=NC1)N1CC(C1)(O)C(F)(F)F)C>O.C(C)(=O)OCC.O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+].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]>CC1=NC(=NC=C1B1OC(C(O1)(C)C)(C)C)N1CC(C1)(O)C(F)(F)F | 3 |
NC[C@H](C)O.N(=[N+]=[N-])[C@H](C(=O)NC=1C=NC=C(C1CCC1[N@](C1)S(=O)(=O)C1=CC=CC=C1)F)[C@@H](C1=CC=C(C=C1)F)C1=CC(=CC(=C1)F)F>>N(=[N+]=[N-])[C@H](C(=O)NC=1C=NC=C(C1CC[C@H](CNC[C@H](C)O)NS(=O)(=O)C1=CC=CC=C1)F)[C@@H](C1=CC=C(C=C1)F)C1=CC(=CC(=C1)F)F | 5 |
FC(C1=C(C=CC=C1)B(O)O)(F)F.C(=O)(O)O.ClC1=NC2=CC=CC(=C2C=C1C=O)Cl>CC#N.O.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC1=C2C=C(C(=NC2=CC=C1)C1=C(C=CC=C1)C(F)(F)F)C=O | 3 |
Br[C:2]1[CH:23]=[CH:22][C:5]([C:6]([NH:8][S:9]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=2[S:18](=[O:21])(=[O:20])[NH2:19])(=[O:11])=[O:10])=[O:7])=[CH:4][C:3]=1[O:24][CH3:25].[C:26]([C:28]1[CH:33]=[CH:32][CH:31]=[C:30]([CH3:34])[CH:29]=1)#[CH:27]>>[CH3:25][O:24][C:3]1[CH:4]=[C:5]([CH:22]=[CH:23][C:2]=1[C:27]#[C:26][C:28]1[CH:29]=[C:30]([CH3:34])[CH:31]=[CH:32][CH:33]=1)[C:6]([NH:8][S:9]([C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=1[S:18](=[O:21])(=[O:20])[NH2:19])(=[O:11])=[O:10])=[O:7] | 2 |
IC1=CN=C2N1C=CC=C2C#N.C(C)(C)OC=1C=C(C=C(C1)B1OC(C(O1)(C)C)(C)C)NC(=O)NCC(F)(F)F>>C(#N)C=1C=2N(C=CC1)C(=CN2)C=2C=C(C=C(C2)OC(C)C)NC(=O)NCC(F)(F)F | 5 |
BrC1=C(N)C(=CC(=C1)Br)Br>O.S(O)(O)(=O)=O.[I-].[K+].N(=O)[O-].[Na+]>BrC1=C(C(=CC(=C1)Br)Br)I | 3 |
Cl.C1(NCC2CCCCC2N)CC1.[CH:14]1([N:17]2[CH2:26][CH:25]3[CH:20]([CH2:21][CH2:22][CH2:23][CH2:24]3)[N:19]3[C:27](=[O:56])[C:28]4[N:29]([CH:31]=[C:32]([C:44]([NH:46][CH2:47][C:48]5[CH:53]=[CH:52][C:51]([F:54])=[CH:50][C:49]=5[F:55])=[O:45])[C:33](=[O:43])[C:34]=4[O:35]CC4C=CC=CC=4)[CH2:30][CH:18]23)[CH2:16][CH2:15]1>>[CH:14]1([N:17]2[CH2:26][CH:25]3[CH:20]([CH2:21][CH2:22][CH2:23][CH2:24]3)[N:19]3[C:27](=[O:56])[C:28]4[N:29]([CH:31]=[C:32]([C:44]([NH:46][CH2:47][C:48]5[CH:53]=[CH:52][C:51]([F:54])=[CH:50][C:49]=5[F:55])=[O:45])[C:33](=[O:43])[C:34]=4[OH:35])[CH2:30][CH:18]23)[CH2:16][CH2:15]1 | 1 |
Cl.C(OC(=O)[NH:8][C@H:9]1[CH2:14][CH2:13][C@H:12]([NH:15][C:16](=[O:25])[CH2:17][N:18]2[CH2:23][CH2:22][N:21]([CH3:24])[CH2:20][CH2:19]2)[CH2:11][CH2:10]1)(C)(C)C.CCOCC>CO>[NH2:8][C@H:9]1[CH2:10][CH2:11][C@H:12]([NH:15][C:16](=[O:25])[CH2:17][N:18]2[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]2)[CH2:13][CH2:14]1 | 1 |
COC1C=CC(C[O:10][C:11]([CH2:13][C:14]([O:16][C:17]2[CH:18]=[C:19]([C:23]3[N:24]=[C:25]4[N:29]([CH:30]=3)[C:28]3[CH:31]=[CH:32][CH:33]=[CH:34][C:27]=3[S:26]4)[CH:20]=[CH:21][CH:22]=2)=[O:15])=[O:12])=CC=1.C1(OC)C=CC=CC=1.FC(F)(F)C(O)=O.C(O)C.[ClH:53]>ClCCl.O1CCCC1>[ClH:53].[C:11]([CH2:13][C:14]([O:16][C:17]1[CH:18]=[C:19]([C:23]2[N:24]=[C:25]3[N:29]([CH:30]=2)[C:28]2[CH:31]=[CH:32][CH:33]=[CH:34][C:27]=2[S:26]3)[CH:20]=[CH:21][CH:22]=1)=[O:15])([OH:12])=[O:10] | 1 |
[O:1]1[C:3]2([CH2:7][CH2:6][CH2:5][CH2:4]2)[CH:2]1[C:8]1[CH:9]=[C:10]([CH:15]=[CH:16][CH:17]=1)[C:11]([O:13][CH3:14])=[O:12].Cl([O-])(=O)(=O)=O.[Li+].[CH2:24]([NH2:27])[CH:25]=[CH2:26]>C(OCC)(=O)C>[OH:1][C:3]1([CH:2]([NH:27][CH2:24][CH:25]=[CH2:26])[C:8]2[CH:9]=[C:10]([CH:15]=[CH:16][CH:17]=2)[C:11]([O:13][CH3:14])=[O:12])[CH2:7][CH2:6][CH2:5][CH2:4]1 | 2 |
[NH2:1][C@@H:2]([CH2:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]2[CH:20]=[C:19]([O:21][C@H:22]([C:27]3[CH:32]=[CH:31][C:30]([Cl:33])=[CH:29][C:28]=3[N:34]3[CH:38]=[CH:37][C:36]([CH3:39])=[N:35]3)[C:23]([F:26])([F:25])[F:24])[N:18]=[C:17]([NH2:40])[N:16]=2)=[CH:11][CH:10]=1)[C:3]([O:5][CH2:6][CH3:7])=[O:4].[C:41]([OH:53])(=[O:52])[CH2:42][NH:43][C:44]([C:46]1[CH:51]=[CH:50][CH:49]=[CH:48][CH:47]=1)=[O:45]>CCO>[C:41]([OH:53])(=[O:52])[CH2:42][NH:43][C:44]([C:46]1[CH:47]=[CH:48][CH:49]=[CH:50][CH:51]=1)=[O:45].[NH2:1][C@@H:2]([CH2:8][C:9]1[CH:10]=[CH:11][C:12]([C:15]2[CH:20]=[C:19]([O:21][C@H:22]([C:27]3[CH:32]=[CH:31][C:30]([Cl:33])=[CH:29][C:28]=3[N:34]3[CH:38]=[CH:37][C:36]([CH3:39])=[N:35]3)[C:23]([F:25])([F:26])[F:24])[N:18]=[C:17]([NH2:40])[N:16]=2)=[CH:13][CH:14]=1)[C:3]([O:5][CH2:6][CH3:7])=[O:4] | 1 |
CS(=O)(=O)C=1C=C(C=NC1)B(O)O.BrC1=C(C=C(C=C1Cl)NC1=NNC(=N1)N)Cl>C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC=1C=C(C=C(C1C=1C=NC=C(C1)S(=O)(=O)C)Cl)NC1=NNC(=N1)N | 3 |
COC=1C=C(C(=O)Cl)C=CC1OC.BrC=1C(=NN(C1NCCC=C)C)C>c1ccncc1>BrC=1C(=NN(C1N(C(C1=CC(=C(C=C1)OC)OC)=O)CCC=C)C)C | 3 |
C1(=CC=CC2=CC=CC=C12)NC.N1=C(C=CC=C1)CCN=C=O>C1CCCO1>CN(C(NCCC1=NC=CC=C1)=O)C1=CC=CC2=CC=CC=C12 | 3 |
FC=1C=C(CN2N=CC3=CC(=CC=C23)N)C=CC1.C(C)(C)(C)OC(NCCN1C=CC=2N=CN=C(C21)Cl)=O>C(C)(C)O>C(C)(C)(C)OC(NCCN1C=CC=2N=CN=C(C21)NC=2C=C1C=NN(C1=CC2)CC2=CC(=CC=C2)F)=O | 3 |
[C:1]([O:5][C:6](=[O:41])[NH:7][CH:8]([C:36](=[O:40])[N:37]([CH3:39])[CH3:38])[CH2:9][C:10]1[CH:15]=[CH:14][C:13]([O:16][C:17]2[CH:22]=[CH:21][C:20]([CH2:23][CH2:24][C:25](=[O:35])[NH:26][O:27]CC3C=CC=CC=3)=[CH:19][CH:18]=2)=[CH:12][CH:11]=1)([CH3:4])([CH3:3])[CH3:2].[H][H]>CO.[Pd]>[C:1]([O:5][C:6](=[O:41])[NH:7][CH:8]([C:36](=[O:40])[N:37]([CH3:39])[CH3:38])[CH2:9][C:10]1[CH:11]=[CH:12][C:13]([O:16][C:17]2[CH:22]=[CH:21][C:20]([CH2:23][CH2:24][C:25](=[O:35])[NH:26][OH:27])=[CH:19][CH:18]=2)=[CH:14][CH:15]=1)([CH3:2])([CH3:4])[CH3:3] | 1 |
O=C1NC(CCC1N1C(N(C2=C1C=CC(=C2)CCC=O)C)=O)=O.NC1=C(C=C(N=N1)C1=C(C=CC=C1)O)N1CCN(CC1)C1=CC=C(C=C1)CNC>O.C1CCCO1.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>NC=1N=NC(=CC1N1CCN(CC1)C1=CC=C(CN(CCCC2=CC3=C(N(C(N3C)=O)C3C(NC(CC3)=O)=O)C=C2)C)C=C1)C1=C(C=CC=C1)O | 3 |
[CH:1](=[C:5]1/[C:6]([O:11]C)=[CH:7][C:8](=[O:10])[NH:9]/1)\[CH:2]([CH3:4])[CH3:3].Cl>[OH-].[Na+]>[CH:1](=[C:5]1/[C:6](=[O:11])[CH2:7][C:8](=[O:10])[NH:9]/1)\[CH:2]([CH3:4])[CH3:3] | 1 |
CC(C)(C)[S@@](=O)N.BrC=1C=CC(=NC1)C=O>>BrC=1C=CC(=NC1)\C=N\[S@](=O)C(C)(C)C | 5 |
ClCCCCCCO.NC1=C(C(=C(C=2C(C3=CC=CC=C3C(C12)=N)=O)N)C(=O)O)C(=O)O>N(C)(C)C=O.O.C[O-].[Na+]>OCCCCCCN=C1C2=CC=CC=C2C(C=2C(=C(C(=C(C12)N)C(=O)O)C(=O)O)N)=O | 3 |
Br[CH2:2][C:3]([C:5]12[CH2:14][CH:9]3[CH2:10][CH:11]([CH2:13][CH:7]([CH2:8]3)[CH2:6]1)[CH2:12]2)=[O:4].[CH3:15][C:16]1[N:21]=[C:20]([SH:22])[CH:19]=[CH:18][CH:17]=1.C(N(CC)CC)C>C(#N)C>[C:5]12([C:3](=[O:4])[CH2:2][S:22][C:20]3[CH:19]=[CH:18][CH:17]=[C:16]([CH3:15])[N:21]=3)[CH2:14][CH:9]3[CH2:10][CH:11]([CH2:13][CH:7]([CH2:8]3)[CH2:6]1)[CH2:12]2 | 2 |
CCC(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]>>NC1=C(C=CC(=C1)Cl)C(C)=O | 5 |
CI.[N+](=O)([O-])C=1C=C(C=CC1C1N(CCNC1=O)C1COC1)NC(OC(C)(C)C)=O>O.C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Na+].C>CN1C(C(N(CC1)C1COC1)C1=C(C=C(C=C1)NC(OC(C)(C)C)=O)[N+](=O)[O-])=O | 3 |
Cl.COC(=O)C1CNC1.ClC=1C=C(COC=2C=C3CCC(C3=CC2)=O)C=CC1F>CO[H].[Cl-].[NH4+].[Cl-].[Zn+2].[Cl-].C(#N)[BH3-].[Na+]>ClC=1C=C(COC=2C=C3CCC(C3=CC2)N2CC(C2)C(=O)OC)C=CC1F | 3 |
C(C1=CC=CC=C1)O[C@@H]1[C@@H]([C@H]2N=C(S[C@H]2O[C@@H]1[C@H](C)O)N(C(OC(C)(C)C)=O)C)F>ClCCl.B(Cl)(Cl)Cl>F[C@H]1[C@H]([C@H](O[C@H]2[C@@H]1N=C(S2)NC)[C@H](C)O)O | 3 |
FC(C1=CC=C(C=C1)S(=O)(=O)Cl)(F)F.NC1=C(C(=NN1C)OC)C1=CC2=C(OCO2)C=C1>C1(=CC=NC=C1)N(C)C.c1ccncc1>O1COC2=C1C=CC(=C2)C=2C(=NN(C2NS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)C)OC | 3 |
OC1=NC=CC(=C1)C(F)(F)F.BrC=1C=CC(=C(C1)C(C(=O)OC(C)(C)C)OS(=O)(=O)C)F>CC#N.C([O-])([O-])=O.[K+].[K+]>BrC=1C=CC(=C(C1)C(C(=O)OC(C)(C)C)N1C(C=C(C=C1)C(F)(F)F)=O)F | 3 |
Cl[C:2]1[N:3]=[CH:4][CH:5]=[C:6]2[CH:10]=[C:9]([CH3:11])[NH:8][C:7]=12.CC1(C)C2C(=C(P(C3C=CC=CC=3)C3C=CC=CC=3)C=CC=2)OC2C(P(C3C=CC=CC=3)C3C=CC=CC=3)=CC=CC1=2.C(=O)([O-])[O-].[Cs+].[Cs+].[CH:60]1([C:63]([NH2:65])=[O:64])[CH2:62][CH2:61]1>C1(C)C=CC=CC=1.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]>[CH3:11][C:9]1[NH:8][C:7]2=[C:2]([NH:65][C:63]([CH:60]3[CH2:62][CH2:61]3)=[O:64])[N:3]=[CH:4][CH:5]=[C:6]2[CH:10]=1 | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.Cl.NCC1=CC(=C(C(=O)OC)C=C1)O>>C(C)(C)(C)OC(=O)NCC=1C(=C(C(=O)OC)C=CC1)O | 5 |
NCNC([C@H](CCCCC)[C@@H](CC)N(C=O)OCC1=CC=CC=C1)=O>ClCCl.CCO[H].[HH].[Pd]>NCNC([C@H](CCCCC)[C@@H](CC)N(C=O)O)=O | 3 |
COC1=CC(=NC2=C(C=CC=C12)OC)C(=O)N1CCC2(CC1)OC1=CC=C(C=C1C(C2)=O)C#N>CCN(CC)CC.CCO[H].Cl.NO>COC1=CC(=NC2=C(C=CC=C12)OC)C(=O)N1CCC2(CC1)OC1=CC=C(C=C1C(C2)=O)C(N)=N | 3 |
BrC1=CC=C(C=C1)C[C@H](C1=NC2=C(N1)C=CC(=C2)C)NC(OC(C)(C)C)=O>>Cl.Cl.BrC1=CC=C(C=C1)C[C@@H](N)C1=NC2=C(N1)C=CC(=C2)C | 5 |
[CH:1]([C:4]1[CH:5]=[C:6]([CH:19]=[CH:20][C:21]=1[O:22][CH3:23])[O:7][C:8]1[C:13]([CH3:14])=[CH:12][C:11]([NH:15][C:16]#[N:17])=[CH:10][C:9]=1[CH3:18])([CH3:3])[CH3:2].[N-:24]=[N+:25]=[N-:26].[Na+].[Cl-].[NH4+]>>[CH:1]([C:4]1[CH:5]=[C:6]([CH:19]=[CH:20][C:21]=1[O:22][CH3:23])[O:7][C:8]1[C:13]([CH3:14])=[CH:12][C:11]([NH:15][C:16]2[NH:26][N:25]=[N:24][N:17]=2)=[CH:10][C:9]=1[CH3:18])([CH3:3])[CH3:2].[CH3:18][C:9]1[CH:10]=[C:11]([NH:15][C:16]2[NH:26][N:25]=[N:24][N:17]=2)[CH:12]=[C:13]([CH3:14])[C:8]=1[O:7][C:6]1[CH:19]=[CH:20][C:21]([OH:22])=[C:4]([CH:1]([CH3:3])[CH3:2])[CH:5]=1 | 1 |
BrCC1=CC=C(C=C1)C1=C(C#N)C=CC=C1.BrC(C1=CC=C(C=C1)C1=C(C=CC=C1)C#N)Br>C1(=CC=CC=C1)C.[HH]>CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N | 3 |
[OH:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][N+:8]#[C-:9].NCCCCCC[OH:17].C(OC)=O>>[OH:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][NH:8][CH:9]=[O:17] | 1 |
BrC=1C=C2C(C=C(OC2=CC1)C1=CC=C(C=C1)OC)=O>ClCCl.B(Br)(Br)Br>BrC=1C=C2C(C=C(OC2=CC1)C1=CC=C(C=C1)O)=O | 3 |
C1COCCN1.S1C(=CC=C1)CNC(=O)C1=NN2C(C=C(C=C2Cl)C2=CC=CC=C2)=C1>>S1C(=CC=C1)CNC(=O)C1=NN2C(C=C(C=C2N2CCOCC2)C2=CC=CC=C2)=C1 | 5 |
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