HRID1986656

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID350623

2,6-Dichloro-3-nitrobenzoic acid

C7H3Cl2NO4

HCID10214710

未命名化合物

HCID57722418

Methyl 7-nitro-1-benzothiophene-2-carboxylate

C10H7NO4S

PRODUCTS

生成物

结构：COc1c(NC(=O)c2cc3c(Cl)ccc([N+](=O)[O-])c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O

HCID10346305

未命名化合物

结构：COC(=O)c1cc2c(Cl)ccc([N+](=O)[O-])c2s1

HCID57722454

未命名化合物

PROCEDURE

实验过程

4-Chloro-7-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester was prepared from 2,6-dichloro-3-nitro-benzoic acid using a procedure analogous to that described in Example 1 for 7-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester. Then, following the procedure described in Example 1, the ester was hydrolyzed and the resulting acid coupled with N-(3-amino-5-tert-butyl-2-methoxy-phenyl)-methanesulfonamide to provide 4-chloro-7-nitro-benzo[b]thiophene-2-carboxylic acid (5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-amide.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f09632f12bf4e789d16f50c2e70e20a
来源数据集: uspto-grants-2009_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07550461B2
来源说明: uspto-grants-2009_06

反应 SMILES

[Cl:1][C:2]1[C:10]([N+:11]([O-:13])=[O:12])=[CH:9][CH:8]=[C:7]([Cl:14])[C:3]=1[C:4](O)=O.[CH3:15][O:16][C:17]([C:19]1[S:23][C:22]2[C:24]([N+:28]([O-:30])=[O:29])=[CH:25][CH:26]=[CH:27][C:21]=2[CH:20]=1)=[O:18].[NH2:31][C:32]1[C:33]([O:47][CH3:48])=[C:34]([NH:42][S:43]([CH3:46])(=[O:45])=[O:44])[CH:35]=[C:36]([C:38]([CH3:41])([CH3:40])[CH3:39])[CH:37]=1>>[CH3:15][O:16][C:17]([C:19]1[S:23][C:2]2[C:10]([N+:11]([O-:13])=[O:12])=[CH:9][CH:8]=[C:7]([Cl:14])[C:3]=2[CH:4]=1)=[O:18].[C:38]([C:36]1[CH:35]=[C:34]([NH:42][S:43]([CH3:46])(=[O:45])=[O:44])[C:33]([O:47][CH3:48])=[C:32]([NH:31][C:17]([C:19]2[S:23][C:22]3[C:24]([N+:28]([O-:30])=[O:29])=[CH:25][CH:26]=[C:27]([Cl:1])[C:21]=3[CH:20]=2)=[O:18])[CH:37]=1)([CH3:40])([CH3:41])[CH3:39]