smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
ClC1=NC=CN=C1N1CCN(CC1)C(=O)OC(C)(C)C>Cl.O1CCOCC1>ClC1=NC=CN=C1N1CCNCC1 | 3 |
[F:1][C:2]1[CH:24]=[CH:23][C:5]([C:6]([NH:8][C:9]2[N:13]([C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=3)[N:12]=[CH:11][C:10]=2[C:20](O)=[O:21])=[O:7])=[CH:4][CH:3]=1.S(Cl)([Cl:27])=O>C(OCC)(=O)C>[F:1][C:2]1[CH:24]=[CH:23][C:5]([C:6]([NH:8][C:9]2[N:13]([C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=3)[N:12]=[CH:11][C:10]=2[C:20]([Cl:27])=[O:21])=[O:7])=[CH:4][CH:3]=1 | 2 |
[CH2:1]([C:3]1([CH2:16][C:17](O)=O)[C:8]2[NH:9][C:10]3[C:15]([C:7]=2[CH2:6][CH2:5][O:4]1)=[CH:14][CH:13]=[CH:12][CH:11]=3)[CH3:2].[H-].[Al+3].[Li+].[H-].[H-].[H-].[O:26]1CCCC1>>[CH2:1]([C:3]1([CH:16]([OH:26])[CH3:17])[C:8]2[NH:9][C:10]3[C:15]([C:7]=2[CH2:6][CH2:5][O:4]1)=[CH:14][CH:13]=[CH:12][CH:11]=3)[CH3:2] | 1 |
CC=1C=C(C=CC1[N+](=O)[O-])OC>>[N+](=O)([O-])C1=C(C=C(C=C1)OC)CBr | 5 |
Cl.COC(C1=C(C=CC=C1O)OCCCCN)=O.C(C)(C)(C)OC(=O)N[C@H](C(=O)O)CC1=CC=C(C=C1)C1CC(N(S1(=O)=O)C(C)(C)C)=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>C(C)(=O)N[C@H](C(=O)NCCCCOC1=C(C(=O)OC)C(=CC=C1)O)CC1=CC=C(C=C1)C1CC(NS1(=O)=O)=O | 3 |
C(C1=CC=CC=C1)OC1=NC(=CC=C1Br)OCC1=CC=CC=C1>CS(=O)C.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+]>C(C1=CC=CC=C1)OC1=NC(=CC=C1B1OC(C(O1)(C)C)(C)C)OCC1=CC=CC=C1 | 3 |
C(C)OCC=1N(C2=C(C=NC=3C=CC=CC23)N1)N=CCC(C)C>CO[H].[Na+].[BH4-]>C(C)OCC=1N(C2=C(C=NC=3C=CC=CC23)N1)NCCC(C)C | 3 |
C(#C)C1=C(C=CC=C1)F.BrC=1C=NC=C(C(=O)N=[S@](C2=CC=CC=C2)(=O)C)C1>[Cu]I.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].CCN(CC)CC.C(C)(=O)OCC>FC1=C(C=CC=C1)C#CC=1C=NC=C(C(=O)N=[S@](C2=CC=CC=C2)(=O)C)C1 | 3 |
ClC=1C=C(C=NC1)B(O)O.BrC=1C(=CC(=C(C1)[C@]1(N=C(C=2N(C1)C=CN2)N)C)F)F>>ClC=1C=C(C=NC1)C=1C(=CC(=C(C1)[C@]1(N=C(C=2N(C1)C=CN2)N)C)F)F | 5 |
[Cl:1][C:2]1[C:3]([F:12])=[C:4]([CH:8]=[CH:9][C:10]=1[F:11])[C:5](Cl)=[O:6].[CH3:13][NH:14][CH2:15][CH2:16][OH:17]>C(Cl)Cl.[OH-].[Na+]>[Cl:1][C:2]1[C:3]([F:12])=[C:4]([CH:8]=[CH:9][C:10]=1[F:11])[C:5]([N:14]([CH2:15][CH2:16][OH:17])[CH3:13])=[O:6] | 1 |
NC1=CC=C(C(=O)NC2CCOCC2)C=C1.ClC=1N=CC2=C(N(CC(C(N2CCC)=O)(F)F)C2CCCC2)N1>O.C1(=CC=C(C=C1)S(=O)(=O)O)C.CC(C)O>C1(CCCC1)N1C2=C(N(C(C(C1)(F)F)=O)CCC)C=NC(=N2)NC2=CC=C(C(=O)NC1CCOCC1)C=C2 | 3 |
[I:1][CH2:2][CH2:3][CH3:4].[N:5]1([C:10]2[CH:15]=[CH:14][N:13]=[CH:12][CH:11]=2)[CH2:9][CH2:8][CH2:7][CH2:6]1>C(O)C>[I-:1].[CH2:2]([N+:13]1[CH:14]=[CH:15][C:10]([N:5]2[CH2:9][CH2:8][CH2:7][CH2:6]2)=[CH:11][CH:12]=1)[CH2:3][CH3:4] | 2 |
C(C)(C)(C)OC(=O)N1[C@H](CN(CC1)C=1C2=C(N=C(N1)OCCCN1[C@@H]3CO[C@H](C1)C3)CN(CC2)C2=CC=CC3=CC=CC(=C23)Cl)CC#N>Cl.O1CCOCC1.C(O)([O-])=O.[Na+]>ClC=1C=CC=C2C=CC=C(C12)N1CC=2N=C(N=C(C2CC1)N1C[C@@H](NCC1)CC#N)OCCCN1[C@@H]2CO[C@H](C1)C2 | 3 |
[CH2:1]([O:3]C1C=C(C=O)C=C(O)C=1C(OC)=O)[CH3:2].[OH:17][C:18]1[CH:19]=[C:20]([CH:23]=[CH:24][C:25]=1[O:26][CH3:27])[CH:21]=[O:22].BrCCO>>[OH:3][CH2:1][CH2:2][O:17][C:18]1[CH:19]=[C:20]([CH:23]=[CH:24][C:25]=1[O:26][CH3:27])[CH:21]=[O:22] | 1 |
BrC1=CC=C(C=C1)N1CCN(CC1)S(=O)(=O)C>COCCOC.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+]>CS(=O)(=O)N1CCN(CC1)C1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C | 3 |
N1N=NC(=C1)CCCC(=O)O.Cl.NC1CCN(CC1)C(=O)OCC1=CC(=CC(=C1)C(F)(F)F)C#N>CCN(CC)CC.C(C)(=O)OCC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>N1N=NC(=C1)CCCC(=O)NC1CCN(CC1)C(=O)OCC1=CC(=CC(=C1)C(F)(F)F)C#N | 3 |
C(C)(=O)OC(C)=O.NC=1C=C(C=CC1C(=O)N1CCN(CC1)C)C=1C=CC=2N(C1)C(=CN2)C2=CC=C(C#N)C=C2>>C(#N)C1=CC=C(C=C1)C1=CN=C2N1C=C(C=C2)C=2C=CC(=C(C2)NC(C)=O)C(=O)N2CCN(CC2)C | 5 |
Cl[C:2]1[CH:3]=[CH:4][C:5]2[C:6]([N:18]=1)=[N:7][C:8]([C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1)=[C:9]([OH:11])[N:10]=2.O.[NH2:20][NH2:21].CCOC(C)=O.O>O1CCOCC1>[NH:20]([C:2]1[CH:3]=[CH:4][C:5]2[C:6]([N:18]=1)=[N:7][C:8]([C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1)=[C:9]([OH:11])[N:10]=2)[NH2:21] | 1 |
NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.COC=1C=C(C(=O)O)C=C(C1)NC1=NC=CC(=N1)OC1=CC=C(C2=CC=CC=C12)NC(=O)NC1=CC(=NN1C1=CC=C(C=C1)C)[Si](C)(C)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=1C=C(C(=O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C=C(C1)NC1=NC=CC(=N1)OC1=CC=C(C2=CC=CC=C12)NC(=O)NC1=CC(=NN1C1=CC=C(C=C1)C)[Si](C)(C)C | 3 |
FC(C=1C=CC(=NC1)C1=CC(NC=C1)=O)(F)F.BrC1=CC=C2C3=C(N(C2=C1)C)CN(CCC3)C(=O)OC(C)(C)C>>CN1C2=C(C3=CC=C(C=C13)N1C(C=C(C=C1)C1=NC=C(C=C1)C(F)(F)F)=O)CCCN(C2)C(=O)OC(C)(C)C | 5 |
ClC=1C=C(C=CC1OC(CNC(OC(C)(C)C)=O)(C)C)C1=CC=C(C=C1)C(=O)N1CC(C1)(F)F>ClCCl.C(=O)(C(F)(F)F)O>NCC(C)(OC1=C(C=C(C=C1)C1=CC=C(C=C1)C(=O)N1CC(C1)(F)F)Cl)C | 3 |
CC1=C(C(=O)OCC2=CC=CC=C2)C(=CC=C1)CO[C@H]1C[C@H](CCC1)OCC=1N=C(OC1C)C1=CC=C(C=C1)C>>CC1=C(C(=O)O)C(=CC=C1)CO[C@H]1C[C@H](CCC1)OCC=1N=C(OC1C)C1=CC=C(C=C1)C | 5 |
[Cl-].[NH4+:2].C[Al](C)C.[Cl:7][C:8]1[CH:9]=[C:10]([CH2:15][C:16]#[N:17])[CH:11]=[CH:12][C:13]=1[Cl:14].CO>C1(C)C=CC=CC=1>[ClH:7].[Cl:7][C:8]1[CH:9]=[C:10]([CH2:15][C:16]([NH2:2])=[NH:17])[CH:11]=[CH:12][C:13]=1[Cl:14] | 1 |
COCN(C[Si](C)(C)C)CC1=CC=CC=C1.COC1=CC=C(C=C1)C(\C=C\C)=O>>C(C1=CC=CC=C1)N1C[C@H]([C@@H](C1)C)C(C1=CC=C(C=C1)OC)=O | 5 |
[H-].[Al+3].[Li+].[H-].[H-].[H-].[NH2:7][C:8]1[CH:16]=[CH:15][CH:14]=[C:13]2[C:9]=1[C:10](=O)[N:11]([CH3:18])[C:12]2=O>O1CCCC1>[CH3:18][N:11]1[CH2:10][C:9]2[C:8]([NH2:7])=[CH:16][CH:15]=[CH:14][C:13]=2[CH2:12]1 | 1 |
O1CCN(CC1)CC(=O)O.NC1=C(C=C(C=C1)NC=1N=CC2=C(N1)CN(CC2)C2=C(C1=C(OCCN1C(=O)OC(C)(C)C)N=C2)C)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>CC1=C(C=NC=2OCCN(C21)C(=O)OC(C)(C)C)N2CC=1N=C(N=CC1CC2)NC2=CC(=C(C=C2)NC(CN2CCOCC2)=O)C | 3 |
FC1=C(C(=O)Cl)C=CC=C1.C(Cl)Cl.C(O)([O-])=O.[Na+].ClC1=CC2=C(OCC2)C=C1C=1C=CC(=NC1)N>ClCCl.C(C)(C)N(C(C)C)CC>ClC1=CC2=C(OCC2)C=C1C=1C=CC(=NC1)NC(=O)C1=C(C=CC=C1)F | 3 |
[CH3:1][N:2]1[CH:7]=[C:6]([CH3:8])[CH:5]=[C:4]([N+:9]([O-])=O)[C:3]1=[O:12]>CO.[Ni]>[NH2:9][C:4]1[C:3](=[O:12])[N:2]([CH3:1])[CH:7]=[C:6]([CH3:8])[CH:5]=1 | 1 |
BrCC(=O)C1=CC=CC=C1.CC1N(N=C(C2=C(C1)C=C1C(=C2)OCO1)C1=CC=C(C=C1)[N+](=O)[O-])C(N)=S>N(C)(C)C=O>CC1N(N=C(C2=C(C1)C=C1C(=C2)OCO1)C1=CC=C(C=C1)[N+](=O)[O-])C=1SC=C(N1)C1=CC=CC=C1 | 3 |
Cl.C([N:4]([CH2:10][CH2:11][C:12]([O:14][CH2:15][CH3:16])=[O:13])[CH2:5][CH2:6][C:7]([OH:9])=[O:8])C.ClC(Cl)Cl.Cl[C:22]([O:24][CH3:25])=[O:23].[CH2:26](N(CC)CC)[CH3:27]>>[CH2:26]([CH:5]([CH2:6][C:7]([OH:9])=[O:8])[N:4]([CH2:10][CH2:11][C:12]([O:14][CH2:15][CH3:16])=[O:13])[C:22]([O:24][CH3:25])=[O:23])[CH3:27] | 1 |
[CH2:1]([O:8][C@H:9]1[C@@H:15]([O:16][CH2:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[C@H:14]([O:24][CH2:25][C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)[C@@H:13]([CH2:32][O:33][CH2:34][C:35]2[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=2)[O:12][CH:10]1[OH:11])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C([O:45][C:46](=[O:49])[CH2:47]Cl)(C)(C)C.COC(C)(C)C>[Cl-].C([N+](CCCC)(CCCC)CCCC)CCC.C1(C)C=CC=CC=1.[OH-].[K+]>[CH2:1]([O:8][C@@H:9]1[C@@H:15]([O:16][CH2:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[C@@H:14]([O:24][CH2:25][C:26]2[CH:27]=[CH:28][CH:29]=[CH:30][CH:31]=2)[C@@H:13]([CH2:32][O:33][CH2:34][C:35]2[CH:36]=[CH:37][CH:38]=[CH:39][CH:40]=2)[O:12][CH:10]1[O:11][CH2:47][C:46]([OH:49])=[O:45])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
[CH:1]1([C:4]([NH:6][C:7]2[S:8][C:9]3[C:14]([N:15]=2)=[CH:13][CH:12]=[C:11]([O:16][C:17]2[CH:18]=[C:19]([NH:24]C(=O)OC(C)(C)C)[CH:20]=[CH:21][C:22]=2[CH3:23])[N:10]=3)=[O:5])[CH2:3][CH2:2]1.C1(OC)C=CC=CC=1.FC(F)(F)C(O)=O>>[NH2:24][C:19]1[CH:20]=[CH:21][C:22]([CH3:23])=[C:17]([CH:18]=1)[O:16][C:11]1[N:10]=[C:9]2[S:8][C:7]([NH:6][C:4]([CH:1]3[CH2:3][CH2:2]3)=[O:5])=[N:15][C:14]2=[CH:13][CH:12]=1 | 1 |
CN.COCCOC=1C=NC(=NC1)N1CCN(CC1)CCO>CC#N.CO[H].ClCCl.ClS(Cl)=O.CCO[H].C([O-])([O-])=O.[K+].[K+]>COCCOC=1C=NC(=NC1)N1CCN(CC1)CCNC | 3 |
F[C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[C:4]([CH3:11])[CH:3]=1.[NH2:12][C:13]1([CH2:18][OH:19])[CH2:17][CH2:16][CH2:15][CH2:14]1.CCN(C(C)C)C(C)C>CS(C)=O>[CH3:11][C:4]1[CH:3]=[C:2]([NH:12][C:13]2([CH2:18][OH:19])[CH2:17][CH2:16][CH2:15][CH2:14]2)[CH:7]=[CH:6][C:5]=1[N+:8]([O-:10])=[O:9] | 2 |
C(C)(=O)Cl.FC(C(=O)O)(F)F.FC(C(=O)O)(F)F.NCC=1C=C(C2=C3N([C@H](CO2)C2=NC=CC=C2)C(NC13)=O)C=1C(=NOC1C)C>ClCCl.C(C)(C)N(C(C)C)CC>FC(C(=O)O)(F)F.CC1=NOC(=C1C1=CC(=C2C=3N([C@H](COC31)C3=NC=CC=C3)C(N2)=O)CNC(C)=O)C | 3 |
C(C1C=NC(=S)N=1)C1C=CC=CC=1.C1(C)C=CC(S(O)=O)=CC=1.[C:24]1([CH:30]([C:32]2[CH:36]=[N:35][C:34](=[S:37])[N:33]=2)[CH3:31])C=CC=C[CH:25]=1.C(Cl)C=C.[S].C(C(CC)C=O)C.CC(CC)C=O.N1C(=S)N=CC=1>>[CH3:31][CH:30]([C:32]1[CH:36]=[N:35][C:34](=[S:37])[N:33]=1)[CH2:24][CH3:25] | 2 |
Cl.[C:2]([C:6]1[CH:7]=[C:8]([CH:17]2[NH:21][CH2:20][CH2:19][S:18]2)[CH:9]=[C:10]([C:13]([CH3:16])([CH3:15])[CH3:14])[C:11]=1[OH:12])([CH3:5])([CH3:4])[CH3:3].C(N(CC)CC)C.[C:29](Cl)(=[O:32])[CH:30]=[CH2:31]>O1CCCC1>[C:13]([C:10]1[CH:9]=[C:8]([CH:17]2[N:21]([C:29](=[O:32])[CH:30]=[CH2:31])[CH2:20][CH2:19][S:18]2)[CH:7]=[C:6]([C:2]([CH3:3])([CH3:4])[CH3:5])[C:11]=1[OH:12])([CH3:14])([CH3:15])[CH3:16] | 1 |
BrC1=NC=CC=N1>>CC1(OB(OC1(C)C)C1=NC=CC=N1)C | 5 |
[CH-:1]1[CH:5]=[CH:4][CH:3]=[CH:2]1.[CH-:6]1[CH:10]=[CH:9][CH:8]=[CH:7]1.[Fe+2:11].[CH:12]([C:15]1([C:21](Cl)=[O:22])[CH2:20][CH2:19][CH:18]=[CH:17][CH2:16]1)([CH3:14])[CH3:13].[Cl-].[Al+3].[Cl-].[Cl-]>C(Cl)Cl>[C-:1]1([C:21]([C:15]2([CH:12]([CH3:14])[CH3:13])[CH2:20][CH2:19][CH:18]=[CH:17][CH2:16]2)=[O:22])[CH:5]=[CH:4][CH:3]=[CH:2]1.[CH-:6]1[CH:10]=[CH:9][CH:8]=[CH:7]1.[Fe+2:11] | 1 |
C(C)N(C=1C(=CC2=C(N(N=C2C1)C1=CC=C(C=C1)F)C(=O)NC)C#CCO)S(=O)(=O)C>>C(C)N(C=1C(=CC2=C(N(N=C2C1)C1=CC=C(C=C1)F)C(=O)NC)C#C)S(=O)(=O)C | 5 |
CC1(O[C@@H]2[C@H](O1)C=C[C@@H]2O)C>ClCCl>CC1(OC2C(O1)C=CC2=O)C | 3 |
F[C@@H]1[C@@H](C1)C(=O)NC=1N=NC2=C(C=C(C=C2C1)C1=C(C=NS1)C)NC(OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>NC=1C=C(C=C2C=C(N=NC12)NC(=O)[C@H]1[C@H](C1)F)C1=C(C=NS1)C | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C)(C)(C)OC(=O)N1C(CC(CC1C)=O)C.CC1NC(CC(C1)=O)C>C(C)OCC.[OH-].[Na+]>C[C@@H]1N([C@H](CC(C1)=O)C)C(=O)OC(C)(C)C | 3 |
OC(C)(C)C1=NN2C(=C(C(=C(C2=O)C2=CC=CC=C2)C)C#N)N1>>ClC1=C(C(=C(C=2N1N=C(N2)C(=C)C)C#N)C)C2=CC=CC=C2 | 5 |
Cl[C:2]1[CH:9]=[CH:8][C:7]([N+:10]([O-])=O)=[CH:6][C:3]=1[C:4]#[N:5].[CH2:13]([N:20]1[CH2:25][CH2:24][CH:23]([OH:26])[CH2:22][CH2:21]1)[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1>>[NH2:10][C:7]1[CH:8]=[CH:9][C:2]([O:26][CH:23]2[CH2:24][CH2:25][N:20]([CH2:13][C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=3)[CH2:21][CH2:22]2)=[C:3]([CH:6]=1)[C:4]#[N:5] | 1 |
[C:1]1([S:7][C:8]2[C:9]([NH:24][C:25]3[S:29][N:28]=[C:27]([CH:30]4[CH2:35][CH2:34][N:33](C(OC(C)(C)C)=O)[CH2:32][CH2:31]4)[N:26]=3)=[N:10][CH:11]=[C:12]([S:14][C:15]3[CH:20]=[CH:19][N:18]=[C:17]4[CH:21]=[CH:22][S:23][C:16]=34)[CH:13]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.CO.[ClH:45]>C(Cl)Cl.O1CCOCC1>[ClH:45].[ClH:45].[C:1]1([S:7][C:8]2[C:9]([NH:24][C:25]3[S:29][N:28]=[C:27]([CH:30]4[CH2:35][CH2:34][NH:33][CH2:32][CH2:31]4)[N:26]=3)=[N:10][CH:11]=[C:12]([S:14][C:15]3[CH:20]=[CH:19][N:18]=[C:17]4[CH:21]=[CH:22][S:23][C:16]=34)[CH:13]=2)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:9]=[N:10][CH:11]=[CH:12][CH:13]=2)=[CH:4][CH:3]=1.C(O)C.[OH-].[Na+].Cl[CH2:20][CH:21]([OH:30])[CH2:22][CH2:23][C:24]1[CH:25]=[N:26][CH:27]=[CH:28][CH:29]=1>O>[N:26]1[CH:27]=[CH:28][CH:29]=[C:24]([CH2:23][CH2:22][CH:21]([OH:30])[CH2:20][O:1][C:2]2[CH:3]=[CH:4][C:5]([C:8]3[CH:9]=[N:10][CH:11]=[CH:12][CH:13]=3)=[CH:6][CH:7]=2)[CH:25]=1 | 1 |
C(CO)O.CC(CC(=O)OC)C=O>C(C)OCC.C1=CC=CC=C1.C1(=CC=C(C=C1)S(=O)(=O)O)C>C1OC(C(CC(=O)OC)C)OC1 | 3 |
Br[C:2]1[CH:7]=[CH:6][C:5]([C@@H:8]([N:11]2[CH2:16][CH2:15][C@:14]([CH2:23][CH2:24][OH:25])([C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=3)[O:13][C:12]2=[O:26])[CH2:9][CH3:10])=[CH:4][CH:3]=1.Br[C:28]1[CH:29]=[CH:30][C:31](=[O:35])[N:32]([CH3:34])[CH:33]=1>>[OH:25][CH2:24][CH2:23][C@@:14]1([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[O:13][C:12](=[O:26])[N:11]([C@H:8]([C:5]2[CH:6]=[CH:7][C:2]([C:28]3[CH:29]=[CH:30][C:31](=[O:35])[N:32]([CH3:34])[CH:33]=3)=[CH:3][CH:4]=2)[CH2:9][CH3:10])[CH2:16][CH2:15]1 | 1 |
[S:1](Cl)(Cl)=[O:2].[C:5]([O:9][C:10](=[O:22])[NH:11][C@@H:12]([C:15]1[CH:20]=[CH:19][CH:18]=[C:17]([F:21])[CH:16]=1)[CH2:13][OH:14])([CH3:8])([CH3:7])[CH3:6].N1C=CC=CC=1.I([O-])(=O)(=O)=[O:30].[Na+]>C(#N)C.C(OCC)(=O)C.O>[C:5]([O:9][C:10]([N:11]1[C@@H:12]([C:15]2[CH:20]=[CH:19][CH:18]=[C:17]([F:21])[CH:16]=2)[CH2:13][O:14][S:1]1(=[O:2])=[O:30])=[O:22])([CH3:8])([CH3:6])[CH3:7] | 1 |
CC(C)([O-])C.[Na+].[F:7][C:8]1[CH:13]=[CH:12][C:11](Br)=[CH:10][CH:9]=1.[CH3:15][CH:16]1[CH2:21][NH:20][CH2:19][CH2:18][NH:17]1>C1(C)C=CC=CC=1.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[CH3:15][CH:16]1[CH2:21][N:20]([C:11]2[CH:12]=[CH:13][C:8]([F:7])=[CH:9][CH:10]=2)[CH2:19][CH2:18][NH:17]1 | 1 |
C(C(C)C)C1=CC=C(C=C1)N1C(=NC(=C(C1=O)CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)CCC)C>[N+](O[H])([H])([H])[H].[Cl-].CS(=O)C.C(O)([O-])=O.[Na+]>C(C(C)C)C1=CC=C(C=C1)N1C(=NC(=C(C1=O)CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NOC(N1)=O)CCC)C | 3 |
CC(CCO)(C)C.BrC1C(NCC1)=O>C1CCCO1.Cl.C[Si](C)(C)[N-][Si](C)(C)C.[K+]>CC(CCOC1C(NCC1)=O)(C)C | 3 |
C1(=CC=CC=C1)NC1=CC=CC=C1.C(C)(C)(C)OC(C1=CC(=CC=C1)Br)=O>>C1(=CC=CC=C1)N(C1=C(C(=CC=C1)C(C)(C)C)C(=O)O)C1=CC=CC=C1 | 5 |
ClC1=NC=NC(=C1)Cl.[Si](C)(C)(C(C)(C)C)O[C@H]1C[C@@H](C[C@H]1CO[Si](C)(C)C(C)(C)C)N>CCN(CC)CC.CCO[H]>[Si](C)(C)(C(C)(C)C)O[C@H]1C[C@@H](C[C@H]1CO[Si](C)(C)C(C)(C)C)NC1=NC=NC(=C1)Cl | 3 |
COC=1C=C2C=CC(=CC2=CC1)C(CCCCCC)O>C=1C=C[NH+]=CC1.[O-][Cr](=O)(=O)Cl>COC=1C=C2C=CC(=CC2=CC1)C(CCCCCC)=O | 3 |
[CH3:1][C:2]1([CH3:12])[CH2:7][CH2:6][CH2:5][C:4]([CH:8]([OH:11])[CH:9]=[CH2:10])=[CH:3]1.CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=O>ClCCl>[CH3:1][C:2]1([CH3:12])[CH2:7][CH2:6][CH2:5][C:4]([C:8](=[O:11])[CH:9]=[CH2:10])=[CH:3]1 | 2 |
NC1=NNC2=C1C(N(C=C2)C2=C(C=C(C#N)C=C2F)F)=O>BrBr.C(C)(=O)O>Br.NC1=NNC2=C1C(N(C=C2Br)C2=C(C=C(C#N)C=C2F)F)=O | 3 |
ClC=1C(=NC(=C(C1Cl)F)C1=C(C=C(C=C1)C(F)(F)F)Cl)C(=O)OC>>ClC=1C(=NC(=C(C1OC)F)C1=C(C=C(C=C1)C(F)(F)F)Cl)C(=O)OC | 5 |
C(CCCCCCCCCCC)C1=CC=C(S1)C(C(CO)NC(C)=O)O>C1CCCO1.C1(=CC=NC=C1)N(C)C.CCN(CC)CC.C(C)(=O)OC(C)=O>C(CCCCCCCCCCC)C1=CC=C(S1)C(C(COC(C)=O)NC(C)=O)OC(C)=O | 3 |
[C:1]1(=[O:7])[O:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[C:8]1([Mg]Br)[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1>C1COCC1>[C:8]1([C:1]2([OH:7])[CH2:2][CH2:3][CH2:4][CH2:5][O:6]2)[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1 | 1 |
BrC=1C(=C2C(=NC1)NC=C2N)F.CC1(C(C1)C(=O)O)C>ClCCl.CCN(CC)CC.O=C1OCCN1P(=O)(N1C(OCC1)=O)Cl>BrC=1C(=C2C(=NC1)NC=C2NC(=O)C2C(C2)(C)C)F | 3 |
[C:1]([NH2:5])(=[O:4])[CH:2]=[CH2:3].[Br-].[Li+].[N:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[CH:14]=[N:15][CH:16]([CH2:24][CH:25]([CH3:27])[CH3:26])[C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18]>C1COCC1.C(OCC)(=O)C>[NH2:5][C:1]([C@@H:2]1[C@H:14]([C:9]2[CH:10]=[CH:11][CH:12]=[CH:13][N:8]=2)[NH:15][C@:16]([CH2:24][CH:25]([CH3:27])[CH3:26])([C:17]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:18])[CH2:3]1)=[O:4] | 2 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:19]=[CH:20][C:21]=1[C:22]([OH:24])=O)[C:5]([NH:7][CH2:8][C:9]1[NH:13][C:12]2[CH:14]=[CH:15][C:16]([Cl:18])=[CH:17][C:11]=2[N:10]=1)=[O:6].[NH:25]1[CH2:30][CH2:29][CH2:28][CH:27]([NH:31]C(=O)OC(C)(C)C)[CH2:26]1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.FC(F)(F)C(O)=O>CS(C)=O.C(N(CC)CC)C>[NH2:31][CH:27]1[CH2:28][CH2:29][CH2:30][N:25]([C:22]([C:21]2[CH:20]=[CH:19][C:4]([C:5]([NH:7][CH2:8][C:9]3[NH:13][C:12]4[CH:14]=[CH:15][C:16]([Cl:18])=[CH:17][C:11]=4[N:10]=3)=[O:6])=[CH:3][C:2]=2[Cl:1])=[O:24])[CH2:26]1 | 1 |
C(#N)C(C(=O)N)C1OC(C(=C1Cl)Cl)=O.Cl.NCC1=C(C=CC(=C1)F)S(=O)(=O)N>CCO[H].C([O-])([O-])=O.[K+].[K+]>Cl.ClC=1C=C(C(N(C1)CC1=C(C=CC(=C1)F)S(N)(=O)=O)=N)C(=O)N | 3 |
COC(=O)C=1C(=C(C=2N(C1)C(=CN2)C#C[Si](C)(C)C)F)NC2=C(C=C(C=C2)C)F>CO[H].C([O-])([O-])=O.[K+].[K+]>COC(=O)C=1C(=C(C=2N(C1)C(=CN2)C#C)F)NC2=C(C=C(C=C2)C)F | 3 |
CC(C)([O-])C.[K+].[F:7][C:8]([F:12])([F:11])[CH2:9][OH:10].[N+]([C:16]1[CH:21]=[CH:20][N:19]=[C:18]([C:22]#[N:23])[CH:17]=1)([O-])=O.[Cl-].[NH4+]>O1CCCC1>[F:7][C:8]([F:12])([F:11])[CH2:9][O:10][C:16]1[CH:21]=[CH:20][N:19]=[C:18]([C:22]#[N:23])[CH:17]=1 | 1 |
ClC1=NC=C(C=C1)C(C)C.O[C@@H]1[C@@H](CN(CC1)C(=O)OC(C)(C)C)C>O.C1CCCO1.ClCCl.C(=O)(C(F)(F)F)O.[H-].[Na+]>C(C)(C)C=1C=CC(=NC1)O[C@@H]1[C@@H](CNCC1)C | 3 |
[Br-].C[Mg+].C(C)SC1=NC(=CC=C1C(=O)N(C)OC)C(F)(F)F>C1CCCO1>C(C)SC1=NC(=CC=C1C(C)=O)C(F)(F)F | 3 |
[Cl:1][C:2]1[CH:10]=[CH:9][N:8]=[C:7]2[C:3]=1[CH:4]=[CH:5][NH:6]2.[C:11]1([CH3:21])[CH:16]=[CH:15][C:14]([S:17](Cl)(=[O:19])=[O:18])=[CH:13][CH:12]=1.S([O-])([O-])(=O)=O.C([N+](CCCC)(CCCC)CCCC)CCC.C([N+](CCCC)(CCCC)CCCC)CCC.[OH-].[Na+]>C1(C)C=CC=CC=1.O>[Cl:1][C:2]1[CH:10]=[CH:9][N:8]=[C:7]2[N:6]([S:17]([C:14]3[CH:15]=[CH:16][C:11]([CH3:21])=[CH:12][CH:13]=3)(=[O:19])=[O:18])[CH:5]=[CH:4][C:3]=12 | 1 |
C(C)(C)O.ClC(=O)OCCl>C(C)OCC.c1ccncc1>C(C)(C)OC(OCCl)=O | 3 |
[NH2:1][CH2:2][C:3]1[CH:4]=[C:5]([C:9]2[N:10]([CH3:21])[C:11]3[C:16]([C:17]=2[C:18]#[N:19])=[CH:15][CH:14]=[C:13]([Cl:20])[CH:12]=3)[CH:6]=[N:7][CH:8]=1.[CH:22]1([N:27]=[C:28]=[O:29])[CH2:26][CH2:25][CH2:24][CH2:23]1>>[Cl:20][C:13]1[CH:12]=[C:11]2[C:16]([C:17]([C:18]#[N:19])=[C:9]([C:5]3[CH:4]=[C:3]([CH2:2][NH:1][C:28]([NH:27][CH:22]4[CH2:26][CH2:25][CH2:24][CH2:23]4)=[O:29])[CH:8]=[N:7][CH:6]=3)[N:10]2[CH3:21])=[CH:15][CH:14]=1 | 1 |
COCCOCCOCCOCCCC(=O)O>>O=C1N(C(CC1)=O)OC(CCCOCCOCCOCCOC)=O | 5 |
[F:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][C:11]=1[F:12])[CH:8]1[O:13][CH:5]2[CH:6]=[CH:7]1.C1C[O:17][CH2:16]C1>CO>[F:12][C:11]1[CH:10]=[C:9]2[C:4](=[CH:3][C:2]=1[F:1])[C@H:5]([OH:13])[C@@H:6]([O:17][CH3:16])[CH:7]=[CH:8]2 | 1 |
Br[C:2]1[S:6][C:5]([C:7]([O:9][CH3:10])=[O:8])=[C:4]([NH:11][CH2:12][C:13]2[CH:18]=[CH:17][C:16]([CH3:19])=[CH:15][CH:14]=2)[CH:3]=1.CC1(C)C(C)(C)OB([C:28]2[CH:33]=[CH:32][C:31]([CH2:34][OH:35])=[CH:30][CH:29]=2)O1.C([O-])([O-])=O.[Na+].[Na+]>CN(C=O)C.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>[OH:35][CH2:34][C:31]1[CH:32]=[CH:33][C:28]([C:2]2[S:6][C:5]([C:7]([O:9][CH3:10])=[O:8])=[C:4]([NH:11][CH2:12][C:13]3[CH:18]=[CH:17][C:16]([CH3:19])=[CH:15][CH:14]=3)[CH:3]=2)=[CH:29][CH:30]=1 | 2 |
C(C1=CC=CC=C1)(=O)Cl.C(C1=CC=CC=C1)C1(CCC(CC1)NCCC)N(C)C>O.C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC.Cl[Si](C)(C)C>Cl.C(C1=CC=CC=C1)C1(CCC(CC1)N(C(C1=CC=CC=C1)=O)CCC)N(C)C | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[C:9](=[O:13])[CH:8]([CH2:14]/[CH:15]=[CH:16]/[CH:17]=O)[CH2:7][CH2:6]2.[C:19]1([CH3:33])[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=1[CH2:25][NH:26][C:27]([CH3:32])=[CH:28][C:29](=[O:31])[CH3:30]>>[C:29]([C:28]1[CH:15]([CH2:14][CH:8]2[CH2:7][CH2:6][C:5]3[C:10](=[CH:11][CH:12]=[C:3]([O:2][CH3:1])[CH:4]=3)[C:9]2=[O:13])[CH:16]=[CH:17][N:26]([CH2:25][C:20]2[CH:21]=[CH:22][CH:23]=[CH:24][C:19]=2[CH3:33])[C:27]=1[CH3:32])(=[O:31])[CH3:30] | 1 |
[F:1][CH2:2][CH:3]([OH:16])[CH:4]([N+:13]([O-])=O)[CH2:5][C:6]([O:8][C:9]([CH3:12])([CH3:11])[CH3:10])=[O:7]>CO.[Ni]>[NH2:13][CH:4]([CH:3]([OH:16])[CH2:2][F:1])[CH2:5][C:6]([O:8][C:9]([CH3:10])([CH3:11])[CH3:12])=[O:7] | 1 |
BrC=1C(=NC=C(C(=O)O)C1)Cl.BrC=1C(=NC=C(C(=O)O)C1)OCCC>C(=O)([O-])[O-].[Cs+].[Cs+].C(CC)O>BrC=1C=C(C=NC1OCCC)CO | 3 |
[CH2:1]([CH:5]1[CH2:13][C:12]2[C:7](=[CH:8][C:9]([OH:14])=[CH:10][CH:11]=2)[C:6]1=[O:15])[CH:2]=[CH:3][CH3:4].[CH2:16](Br)[CH:17]([CH3:19])[CH3:18].C(=O)([O-])[O-].[K+].[K+].O>CN(C)C=O>[CH2:1]([CH:5]1[CH2:13][C:12]2[C:7](=[CH:8][C:9]([O:14][CH2:16][CH:17]([CH3:19])[CH3:18])=[CH:10][CH:11]=2)[C:6]1=[O:15])[CH:2]=[CH:3][CH3:4] | 1 |
[NH:1]1[CH:9]=[C:7]([CH3:8])[C:5](=[O:6])[NH:4][C:2]1=[O:3].[H-].[Na+].Br[CH2:13][C@@H:14]1O[C@@H](P(OCC)(OCC)=O)CC1>CN(C=O)C>[CH2:13]([N:1]1[CH:9]=[C:7]([CH3:8])[C:5](=[O:6])[NH:4][C:2]1=[O:3])[CH3:14] | 1 |
[S:1]([N:11]1[C:23]2[CH:22]=[CH:21][C:20](I)=[CH:19][C:18]=2[C:17]2[C:12]1=[CH:13][CH:14]=[CH:15][CH:16]=2)([C:4]1[CH:10]=[CH:9][C:7]([CH3:8])=[CH:6][CH:5]=1)(=[O:3])=[O:2].[N:25]1[C:30]2[NH:31][C:32]3[C:37]([C:29]=2[CH:28]=[CH:27][CH:26]=1)=[CH:36][CH:35]=[CH:34][CH:33]=3.P([O-])([O-])([O-])=O.[K+].[K+].[K+].C1(N)CCCCC1N>[Cu]I.C1(C)C=CC=C(C)C=1>[S:1]([N:11]1[C:23]2[CH:22]=[CH:21][C:20]([N:31]3[C:32]4[C:37](=[CH:36][CH:35]=[CH:34][CH:33]=4)[C:29]4[CH:28]=[CH:27][CH:26]=[N:25][C:30]3=4)=[CH:19][C:18]=2[C:17]2[C:12]1=[CH:13][CH:14]=[CH:15][CH:16]=2)([C:4]1[CH:10]=[CH:9][C:7]([CH3:8])=[CH:6][CH:5]=1)(=[O:3])=[O:2] | 1 |
[C:1](=[N:14][NH2:15])([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[F:16][C:17]1[CH:18]=[C:19]([C:24](=O)[CH3:25])[CH:20]=[C:21]([F:23])[CH:22]=1.C(Cl)(Cl)Cl>ClCCl>[F:16][C:17]1[CH:18]=[C:19]([C:24](=[N:15][N:14]=[C:1]([C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][CH:13]=2)[C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)[CH3:25])[CH:20]=[C:21]([F:23])[CH:22]=1 | 2 |
[H-].[Al+3].[Li+].[H-].[H-].[H-].[NH2:7][C:8]1[CH:9]=[CH:10][C:11](Cl)=[C:12]([CH:18]=1)[C:13](OCC)=[O:14].C1C[O:23][CH2:22]C1>>[NH2:7][C:8]1[CH:18]=[C:12]([CH2:13][OH:14])[CH:11]=[C:10]([O:23][CH3:22])[CH:9]=1 | 2 |
C(C)(C)(C)N.FC=1C=C(C(=O)NC(NC2=NNC3=C(C=CC(=C23)F)OC)=S)C=CC1F>C1CCCO1.CCN=C=NCCCN(C)C>C(C)(C)(C)NC(=NC(C1=CC(=C(C=C1)F)F)=O)NC1=NNC2=C(C=CC(=C12)F)OC | 3 |
[N:1]1([CH2:7][C:8]2[CH:22]=[CH:21][C:11]3[NH:12][C:13]([C:15]4[C:19]([NH2:20])=[CH:18][NH:17][N:16]=4)=[N:14][C:10]=3[CH:9]=2)[CH2:6][CH2:5][O:4][CH2:3][CH2:2]1.[N:23]1(C(Cl)=O)[CH2:28][CH2:27][O:26][CH2:25][CH2:24]1.C([N:35]([CH:38](C)C)CC)(C)C.C1C[O:44]CC1>>[N:23]1([N:20]([C:19]2[C:15]([C:13]3[NH:12][C:11]4[CH:21]=[CH:22][C:8]([CH2:7][N:1]5[CH2:6][CH2:5][O:4][CH2:3][CH2:2]5)=[CH:9][C:10]=4[N:14]=3)=[N:16][NH:17][CH:18]=2)[C:38]([NH2:35])=[O:44])[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1 | 1 |
C(C)(OC)(OC)OC.NC=1C(=NC(=CC1NCC1=C(C=CC=C1C)CC)OC)NC>CCO[H].Cl>C(C)C1=C(CNC2=C3C(=NC(=C2)OC)N(C(=N3)C)C)C(=CC=C1)C | 3 |
[C:1]([O:5][C:6](=[O:17])[CH2:7][C@@H:8]([CH2:15][OH:16])[CH2:9][C@H:10]([CH3:14])[CH2:11][CH2:12][CH3:13])([CH3:4])([CH3:3])[CH3:2].C(N(CC)CC)C.[S:25](Cl)([C:28]1[CH:34]=[CH:33][C:31]([CH3:32])=[CH:30][CH:29]=1)(=[O:27])=[O:26].Cl>C(Cl)Cl.CN(C1C=CN=CC=1)C>[C:1]([O:5][C:6](=[O:17])[CH2:7][C@@H:8]([CH2:15][O:16][S:25]([C:28]1[CH:34]=[CH:33][C:31]([CH3:32])=[CH:30][CH:29]=1)(=[O:27])=[O:26])[CH2:9][C@H:10]([CH3:14])[CH2:11][CH2:12][CH3:13])([CH3:3])([CH3:2])[CH3:4] | 1 |
OC1=C(C#N)C=CC(=C1)OC>>C(C)OC1=C(C#N)C=CC(=C1)OC | 5 |
ClC1=C(C=CC=C1)S(=O)(=O)Cl.COC(CC1=CC2=CC=C(C=C2C(=C1C)C1CCNCC1)F)=O>>COC(CC1=CC2=CC=C(C=C2C(=C1C)C1CCN(CC1)S(=O)(=O)C1=C(C=CC=C1)Cl)F)=O | 5 |
[N:1]([C:4]1[CH:5]=[C:6]([CH2:11][C:12]([OH:14])=O)[CH:7]=[CH:8][C:9]=1[OH:10])=[N+:2]=[N-:3].[NH2:15][C:16]1([O:36][CH3:37])[C:23](=[O:24])[N:22]2[CH:17]1[S:18][CH2:19][C:20]([CH2:28][S:29][C:30]1[S:31][C:32]([CH3:35])=[N:33][N:34]=1)=[C:21]2[C:25]([OH:27])=[O:26]>>[N:1]([C:4]1[CH:5]=[C:6]([CH2:11][C:12]([NH:15][C:16]2([O:36][CH3:37])[C:23](=[O:24])[N:22]3[CH:17]2[S:18][CH2:19][C:20]([CH2:28][S:29][C:30]2[S:31][C:32]([CH3:35])=[N:33][N:34]=2)=[C:21]3[C:25]([OH:27])=[O:26])=[O:14])[CH:7]=[CH:8][C:9]=1[OH:10])=[N+:2]=[N-:3] | 1 |
N1[C@H](C(=O)N)CCC1.C(C1=CC=CC=C1)OC(=O)N[C@@H](CC1=CNC=N1)C(=O)O>N(C)(C)C=O.C1(CCCCC1)N=C=NC1CCCCC1.n1nn(O)c2ccccc12.C(C)N1CCOCC1>O=C1C(NCCN1)=O.N[C@@H](CC1=CNC=N1)C(=O)N1[C@@H](CCC1)C(=O)O | 3 |
[NH2:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][N:3]=1.[CH2:8]([C:12]1C(CC2C=CC(C3C(C(OC(C)(C)C)=O)=CC=CC=3)=CC=2)=C2CCCCN2N=1)[CH2:9]CC.BrCC(=O)C>CC(C)=O>[CH3:12][C:8]1[N:1]=[C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][N:3]2[CH:9]=1 | 1 |
CC(CC(C)=O)=O.COC(=O)C=1C=C(C=CC1[N+](=O)[O-])NN>CO[H].CCN(CC)CC>[N+](=O)([O-])C1=C(C(=O)OC)C=C(C=C1)N1N=C(C=C1C)C | 3 |
[NH2:1][C:2]1[N:7]=[CH:6][N:5]=[C:4]2[N:8]([CH:12]3[CH2:16][CH2:15][N:14]([C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])[CH2:13]3)[N:9]=[C:10](I)[C:3]=12.CC1(C)C(C)(C)OB([C:32]2[CH:37]=[CH:36][C:35]([NH:38][C:39]3[O:40][C:41]4[C:47]([CH3:48])=[CH:46][C:45]([CH3:49])=[CH:44][C:42]=4[N:43]=3)=[CH:34][CH:33]=2)O1.C(=O)([O-])[O-].[Na+].[Na+]>COCCOC.O.[Pd].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>[NH2:1][C:2]1[N:7]=[CH:6][N:5]=[C:4]2[N:8]([CH:12]3[CH2:16][CH2:15][N:14]([C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])[CH2:13]3)[N:9]=[C:10]([C:32]3[CH:33]=[CH:34][C:35]([NH:38][C:39]4[O:40][C:41]5[C:47]([CH3:48])=[CH:46][C:45]([CH3:49])=[CH:44][C:42]=5[N:43]=4)=[CH:36][CH:37]=3)[C:3]=12 | 1 |
CC1CCNCC1.ClCC1=CC=C(C(=O)NC2=CC=C(C=C2)OC(N(C2=CC=CC=C2)C)=O)C=C1>N(C)(C)C=O.[I-].[Na+]>CC1CCN(CC1)CC1=CC=C(C(=O)NC2=CC=C(C=C2)OC(N(C2=CC=CC=C2)C)=O)C=C1 | 3 |
[OH:1][CH2:2][C:3]1[S:4][CH:5]=[CH:6][C:7]=1[S:8]([N:11]([CH3:26])[C:12]1[CH:13]=[CH:14][CH:15]=[C:16]2[C:20]=1[NH:19][C:18]([C:21]1[S:22][CH:23]=[CH:24][N:25]=1)=[CH:17]2)(=[O:10])=[O:9].CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=O.C(=O)([O-])O.[Na+]>C(#N)C>[CH:2]([C:3]1[S:4][CH:5]=[CH:6][C:7]=1[S:8]([N:11]([CH3:26])[C:12]1[CH:13]=[CH:14][CH:15]=[C:16]2[C:20]=1[NH:19][C:18]([C:21]1[S:22][CH:23]=[CH:24][N:25]=1)=[CH:17]2)(=[O:10])=[O:9])=[O:1] | 1 |
[CH3:1][N:2]1[C:10]([CH2:11][CH2:12][CH2:13][C:14]([OH:16])=[O:15])=[N:9][C:8]2[CH:7]=[C:6]([N:17]([CH2:21][CH2:22][Cl:23])[CH2:18][CH2:19][Cl:20])[CH:5]=[CH:4][C:3]1=2.Cl.[CH3:25][CH:26](O)[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36].C1(N=C=NC2CCCCC2)CCCCC1>CN(C1C=CN=CC=1)C>[CH3:36][CH:35]([O:15][C:14](=[O:16])[CH2:13][CH2:12][CH2:11][C:10]1[N:2]([CH3:1])[C:3]2[CH:4]=[CH:5][C:6]([N:17]([CH2:18][CH2:19][Cl:20])[CH2:21][CH2:22][Cl:23])=[CH:7][C:8]=2[N:9]=1)[CH2:34][CH2:33][CH2:32][CH2:31][CH2:30][CH2:29][CH2:28][CH2:27][CH2:26][CH3:25] | 1 |
C(C)(C)(C)OC(=O)N1C2CNCCC1CC2.COC1=CC=C(CN(C2=CC(=C(C(=N2)C2=C(C=C3C(NC(=NC3=C2F)OC[C@H]2N(CCC2)C)=O)Cl)C(F)(F)F)C)CC2=CC=C(C=C2)OC)C=C1>ClCCl.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1C=CC=C2)O[P+](N(C)C)(N(C)C)N(C)C>COC1=CC=C(CN(C2=CC(=C(C(=N2)C2=C(C=C3C(=NC(=NC3=C2F)OC[C@H]2N(CCC2)C)N2CC3CCC(CC2)N3C(=O)OC(C)(C)C)Cl)C(F)(F)F)C)CC3=CC=C(C=C3)OC)C=C1 | 3 |
[Br:1][C:2]1[CH:3]=[C:4]([CH2:8][S:9]([NH:12][CH2:13][C:14]2[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][C:15]=2[O:22][CH3:23])(=[O:11])=[O:10])[CH:5]=[CH:6][CH:7]=1.C[Li].[CH3:26][C:27]([CH3:29])=[O:28].C(O)(=O)C>C1COCC1.C(OCC)C.C(OCC)(=O)C>[CH3:23][O:22][C:15]1[CH:16]=[C:17]([O:20][CH3:21])[CH:18]=[CH:19][C:14]=1[CH2:13][NH:12][S:9]([CH:8]([C:4]1[CH:5]=[CH:6][CH:7]=[C:2]([Br:1])[CH:3]=1)[C:27]([OH:28])([CH3:29])[CH3:26])(=[O:10])=[O:11] | 1 |
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