HRID393427

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11087

2-Nitrobenzoic acid

C7H5NO4

结构：COC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)C1(Cc2ccc(OC)cc2)CCCC1

HCID54485205

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC2(C(=O)N[C@@H](Cc3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)C(=O)O)CCCC2)cc1

HCID10152882

未命名化合物

收率 51%

PROCEDURE

实验过程

4-Amino-N-[[1-[(4-methoxyphenyl)methyl]cyclopentyl]carbonyl]-L-phenylalanine methyl ester (32.3 mg, 0.079 mmol) and 2-nitrobenzoic acid (17 mg, 0.10 mmol) were reacted as described in example 40 to give 22 mg of N-[[1-[(4-methoxyphenyl)methyl]cyclopentyl]carbonyl]-4-[[(2-nitrophenyl)carbonyl]amino]-L-phenylalanine, HR—FAB—MS: obs. mass 546.2235. Calcd. mass 546.2240 (M+H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37e103b609a04fa6a63b72361aa3438b
来源数据集: uspto-grants-2004_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06806365B2
来源说明: uspto-grants-2004_10

反应 SMILES

C[O:2][C:3](=[O:30])[C@H:4]([CH2:22][C:23]1[CH:28]=[CH:27][C:26]([NH2:29])=[CH:25][CH:24]=1)[NH:5][C:6]([C:8]1([CH2:13][C:14]2[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][CH:15]=2)[CH2:12][CH2:11][CH2:10][CH2:9]1)=[O:7].[N+:31]([C:34]1[CH:42]=[CH:41][CH:40]=[CH:39][C:35]=1[C:36](O)=[O:37])([O-:33])=[O:32]>>[CH3:21][O:20][C:17]1[CH:16]=[CH:15][C:14]([CH2:13][C:8]2([C:6]([NH:5][C@H:4]([C:3]([OH:2])=[O:30])[CH2:22][C:23]3[CH:24]=[CH:25][C:26]([NH:29][C:36]([C:35]4[CH:39]=[CH:40][CH:41]=[CH:42][C:34]=4[N+:31]([O-:33])=[O:32])=[O:37])=[CH:27][CH:28]=3)=[O:7])[CH2:9][CH2:10][CH2:11][CH2:12]2)=[CH:19][CH:18]=1