HRID2270772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1ccc(C(=O)NC[C@H](NC(=O)c2ccc(C(=O)NCc3cccc4[nH]ccc34)cc2Cl)C(=O)O)s1

HCID23523065

未命名化合物

PRODUCTS

生成物

结构：O=C1Cc2c(CNC(=O)c3ccc(C(=O)N[C@@H](CNC(=O)c4ccccc4)C(=O)O)c(Cl)c3)cccc2N1

HCID59977293

未命名化合物

PROCEDURE

实验过程

3-(benzoylamino)-N-[2-chloro-4-[[(1H-indol-4-ylmethyl)amino]carbonyl]benzoyl]-L-alanine; N-[2-chloro-4-[[(1H-benzimidazol-4-ylmethyl)amino]carbonyl]benzoyl]-3-(thiophene-2-carbonyl)amino-L-alanine; N-[2-chloro-4-[[(1H-indol-4-ylmethyl)amino]carbony]benzoyl]-3-(thiophene-2-carbonyl)amino-L-alanine; N-[2-chloro-4-[[(2,3-dihydro-1H-indol-4-ylmethyl)amino]carbonyl]benzoyl]-3-(thiophene-2-carbonyl)amino-L-alanine; N-[2-bromo-4-[[(1H-indol-4-ylmethyl)amino]carbonyl]benzoyl]-3-(thiophene-2-carbonyl)amino-L-alanine; N-[2-chloro-4-[[(1H-indol-4-ylmethyl)amino]carbonyl]benzoyl]-3-(thiophene-3-carbonyl)anino-L-alanine; N-[2-chloro-4-[[(1H-indol-4-ylmethyl)amino]carbonyl]benzoyl]-3-[(5-methylthiophene-2-carbony)]amino-L-alanine), and N-[2-chloro-4-[[[(1H-indazol-4-yl)methyl]amino]carbonyl]benzoyl]-3-(thiophene-2-carbonyl)amino-L-alanine.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3247412d7564f5582ae68ac5529253e
来源数据集: uspto-grants-2001_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06331640B1
来源说明: uspto-grants-2001_12

反应 SMILES

[C:1]([NH:9][CH2:10][C@@H:11]([C:35]([OH:37])=[O:36])[NH:12][C:13](=[O:34])[C:14]1[CH:19]=[CH:18][C:17]([C:20]([NH:22][CH2:23][C:24]2[CH:32]=[CH:31][CH:30]=[C:29]3[C:25]=2[CH:26]=[CH:27][NH:28]3)=[O:21])=[CH:16][C:15]=1[Cl:33])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.ClC1C=C(C(NCC2C3N=CNC=3C=CC=2)=O)C=CC=1C(N[C@H](C(O)=O)CNC(C1SC=CC=1)=O)=[O:42].ClC1C=C(C(NCC2C=CC=C3C=2C=CN3)=O)C=CC=1C(N[C@H](C(O)=O)CNC(C1SC=CC=1)=O)=O.ClC1C=C(C(NCC2C=CC=C3C=2CCN3)=O)C=CC=1C(N[C@H](C(O)=O)CNC(C1SC=CC=1)=O)=O.BrC1C=C(C(NCC2C=CC=C3C=2C=CN3)=O)C=CC=1C(N[C@H](C(O)=O)CNC(C1SC=CC=1)=O)=O.ClC1C=C(C(NCC2C=CC=C3C=2C=CN3)=O)C=CC=1C(N[C@H](C(O)=O)CNC(C1C=CSC=1)=O)=O.ClC1C=C(C(NCC2C=CC=C3C=2C=CN3)=O)C=CC=1C(N[C@H](C(O)=O)CNC(C1SC(C)=CC=1)=O)=O.ClC1C=C(C(NCC2C=CC=C3C=2C=NN3)=O)C=CC=1C(N[C@H](C(O)=O)CNC(C1SC=CC=1)=O)=O>>[C:1]([NH:9][CH2:10][C@@H:11]([C:35]([OH:37])=[O:36])[NH:12][C:13](=[O:34])[C:14]1[CH:19]=[CH:18][C:17]([C:20]([NH:22][CH2:23][C:24]2[CH:32]=[CH:31][CH:30]=[C:29]3[C:25]=2[CH2:26][C:27](=[O:42])[NH:28]3)=[O:21])=[CH:16][C:15]=1[Cl:33])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1