HRID1894450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID577192

2,3,4,5-TETRAHYDRO-1H-BENZO[B][1,4]DIAZEPINE

C9H12N2

结构：CCOc1cc(C(C)(C)C)ncc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)Cl

HCID57669958

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(C)(C)C)ncc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCCNc2ccccc21

HCID57670143

未命名化合物

PROCEDURE

实验过程

In a manner analogous to the method described in examples 8, (4S,5R)-2-(6-tert-butyl-4-ethoxy-pyridin-3-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl chloride (example 51) was coupled with 2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine (Aldrich) to give the title compound. HR-MS (ES, m/z) calculated for C38H42Cl2N5O2 [(M+H)+] 670.271, observed 670.2712.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15481e17cf854793845cb8088a4150c2
来源数据集: uspto-grants-2013_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08513239B2
来源说明: uspto-grants-2013_08

反应 SMILES

[C:1]([C:5]1[N:10]=[CH:9][C:8]([C:11]2[N:12]([C:32](Cl)=[O:33])[C@@:13]([C:25]3[CH:30]=[CH:29][C:28]([Cl:31])=[CH:27][CH:26]=3)([CH3:24])[C@@:14]([C:17]3[CH:22]=[CH:21][C:20]([Cl:23])=[CH:19][CH:18]=3)([CH3:16])[N:15]=2)=[C:7]([O:35][CH2:36][CH3:37])[CH:6]=1)([CH3:4])([CH3:3])[CH3:2].[NH:38]1[CH2:44][CH2:43][CH2:42][NH:41][C:40]2[CH:45]=[CH:46][CH:47]=[CH:48][C:39]1=2>>[C:1]([C:5]1[N:10]=[CH:9][C:8]([C:11]2[N:12]([C:32]([N:38]3[CH2:44][CH2:43][CH2:42][NH:41][C:40]4[CH:45]=[CH:46][CH:47]=[CH:48][C:39]3=4)=[O:33])[C@@:13]([C:25]3[CH:30]=[CH:29][C:28]([Cl:31])=[CH:27][CH:26]=3)([CH3:24])[C@@:14]([C:17]3[CH:22]=[CH:21][C:20]([Cl:23])=[CH:19][CH:18]=3)([CH3:16])[N:15]=2)=[C:7]([O:35][CH2:36][CH3:37])[CH:6]=1)([CH3:4])([CH3:2])[CH3:3]