HRID2273413

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)[C@@H](N)Cc1ccc(-c2ccc(C#N)cc2)cc1.Cl

HCID66719258

未命名化合物

结构：CC(C)OC(=O)N1Cc2cc(O)c([N+](=O)[O-])cc2C[C@H]1C(=O)O

HCID66922707

未命名化合物

PRODUCTS

生成物

结构：COC(=O)[C@H](Cc1ccc(-c2ccc(C#N)cc2)cc1)NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)cc2CN1C(=O)OC(C)C

HCID66923127

未命名化合物

收率 79.7%

PROCEDURE

实验过程

(S)-7-Hydroxy-6-nitro-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid 2-isopropyl ester 3-methyl ester (2.4 mmol) was hydrolyzed according to general procedure B to provide the acid (0.704 g). (S)-7-Hydroxy-6-nitro-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid 2-isopropyl ester (2.16 mmol) was coupled with (S)-2-amino-3-(4′-cyano-biphenyl-4-yl)-propionic acid methyl ester-hydrochloride (2.38 mmol) according to general procedure A to provide the amide (1.01 g) LC/MS: m/z 588.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a522bb12a4ae4f26b0e50e0f36964f45
来源数据集: uspto-grants-2015_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09120813B2
来源说明: uspto-grants-2015_09

反应 SMILES

[CH:1]([O:4][C:5]([N:7]1[C@H:16]([C:17](O)=[O:18])[CH2:15][C:14]2[C:9](=[CH:10][C:11]([OH:23])=[C:12]([N+:20]([O-:22])=[O:21])[CH:13]=2)[CH2:8]1)=[O:6])([CH3:3])[CH3:2].Cl.[CH3:25][O:26][C:27](=[O:45])[C@@H:28]([NH2:44])[CH2:29][C:30]1[CH:35]=[CH:34][C:33]([C:36]2[CH:41]=[CH:40][C:39]([C:42]#[N:43])=[CH:38][CH:37]=2)=[CH:32][CH:31]=1>>[CH:1]([O:4][C:5]([N:7]1[C@H:16]([C:17](=[O:18])[NH:44][C@H:28]([C:27]([O:26][CH3:25])=[O:45])[CH2:29][C:30]2[CH:31]=[CH:32][C:33]([C:36]3[CH:41]=[CH:40][C:39]([C:42]#[N:43])=[CH:38][CH:37]=3)=[CH:34][CH:35]=2)[CH2:15][C:14]2[C:9](=[CH:10][C:11]([OH:23])=[C:12]([N+:20]([O-:22])=[O:21])[CH:13]=2)[CH2:8]1)=[O:6])([CH3:2])[CH3:3]