HRID963056

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID14798

Sodium Hydroxide

HNaO

结构：CCOC(=O)Cn1c(C(=O)NCc2nnc(Br)n2-c2sc(CC)cc2C(=O)c2ccccc2Cl)cc2ccccc21

HCID67727711

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(C(=O)c2ccccc2Cl)c(-n2c(Br)nnc2CNC(=O)c2cc3ccccc3n2CC(=O)O)s1

HCID67727778

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID702

Ethanol

C2H6O

PROCEDURE

实验过程

Ethyl 2-(3-bromo-4-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl) [1,2,4]triazol-5-ylmethylcarbamoyl)indole-1-acetate and a 2M aqueous sodium hydroxide solution are added to ethanol, and the mixture is refluxed with stirring for 1 hour. An aqueous citric acid solution is added to adjust the reaction mixture to pH 3 to give 2-(3-bromo-4-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl) [1,2,4]triazol-5-ylmethylcarbamoyl)indole-1-acetic acid.

WORKUP

后处理

temperaturethe mixture is refluxed

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71b930e5bd6a4371ba11ac4d9099392d
来源数据集: uspto-grants-1998_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05760032
来源说明: uspto-grants-1998_06

反应 SMILES

[Br:1][C:2]1[N:6]([C:7]2[S:8][C:9]([CH2:21][CH3:22])=[CH:10][C:11]=2[C:12](=[O:20])[C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=2[Cl:19])[C:5]([CH2:23][NH:24][C:25]([C:27]2[N:28]([CH2:36][C:37]([O:39]CC)=[O:38])[C:29]3[C:34]([CH:35]=2)=[CH:33][CH:32]=[CH:31][CH:30]=3)=[O:26])=[N:4][N:3]=1.[OH-].[Na+].C(O)(=O)CC(CC(O)=O)(C(O)=O)O>C(O)C>[Br:1][C:2]1[N:6]([C:7]2[S:8][C:9]([CH2:21][CH3:22])=[CH:10][C:11]=2[C:12](=[O:20])[C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=2[Cl:19])[C:5]([CH2:23][NH:24][C:25]([C:27]2[N:28]([CH2:36][C:37]([OH:39])=[O:38])[C:29]3[C:34]([CH:35]=2)=[CH:33][CH:32]=[CH:31][CH:30]=3)=[O:26])=[N:4][N:3]=1