HRID39084

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID66719510

未命名化合物

结构：CC(C)(C)OC(=O)N1Cc2cc3c(cc2CC1C(=O)O)NC(=O)[C@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)O3

HCID66923012

未命名化合物

PRODUCTS

生成物

结构：COC(=O)[C@H](Cc1ccc(-c2ccc(C)cc2)cc1)NC(=O)C1Cc2cc3c(cc2CN1)O[C@@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)N3.Cl

HCID66923066

未命名化合物

PROCEDURE

实验过程

(S)-2-({(S)-3-[4-(3,4-Dichloro-benzyloxy)-phenyl]-2-oxo-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carbonyl}-amino)-3-(4′-methyl-biphenyl-4-yl)-propionic acid methyl ester hydrochloride (74 mg, LC/MS: m/z 751) was prepared from (S)-3-[4-(3,4-Dichloro-benzyloxy)-phenyl]-2-oxo-1,2,3,5,7,8-hexahydro-4-oxa-1,6-diaza-anthracene-6,7-dicarboxylic acid 6-tert-butyl ester (150 mg) and (S)-2-Amino-3-(4′-methyl-biphenyl-4-yl)-propionic acid methyl ester hydrochloride according to general procedures A and C.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9a3f881f5584687b4b1590e0097f236
来源数据集: uspto-grants-2013_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08524708B2
来源说明: uspto-grants-2013_09

反应 SMILES

C(OC([N:8]1[CH:21]([C:22](O)=[O:23])[CH2:20][C:19]2[CH:18]=[C:17]3[C:12]([O:13][C@@H:14]([C:26]4[CH:31]=[CH:30][C:29]([O:32][CH2:33][C:34]5[CH:39]=[CH:38][C:37]([Cl:40])=[C:36]([Cl:41])[CH:35]=5)=[CH:28][CH:27]=4)[C:15](=[O:25])[NH:16]3)=[CH:11][C:10]=2[CH2:9]1)=O)(C)(C)C.Cl.[CH3:43][O:44][C:45](=[O:62])[C@@H:46]([NH2:61])[CH2:47][C:48]1[CH:53]=[CH:52][C:51]([C:54]2[CH:59]=[CH:58][C:57]([CH3:60])=[CH:56][CH:55]=2)=[CH:50][CH:49]=1>>[ClH:40].[CH3:43][O:44][C:45](=[O:62])[C@@H:46]([NH:61][C:22]([CH:21]1[CH2:20][C:19]2[CH:18]=[C:17]3[C:12]([O:13][C@@H:14]([C:26]4[CH:27]=[CH:28][C:29]([O:32][CH2:33][C:34]5[CH:39]=[CH:38][C:37]([Cl:40])=[C:36]([Cl:41])[CH:35]=5)=[CH:30][CH:31]=4)[C:15](=[O:25])[NH:16]3)=[CH:11][C:10]=2[CH2:9][NH:8]1)=[O:23])[CH2:47][C:48]1[CH:53]=[CH:52][C:51]([C:54]2[CH:59]=[CH:58][C:57]([CH3:60])=[CH:56][CH:55]=2)=[CH:50][CH:49]=1