HRID2391903

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID21899815

未命名化合物

结构：CCOC(=O)c1ccc(-c2c(F)c(OC)cc(OC)c2F)c2nccnc12

HCID86641145

未命名化合物

HCID178463937

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)Cc1c[nH]c(NC(=O)c2ccc(-c3c(F)c(OC)cc(OC)c3F)c3nccnc23)n1

HCID178463936

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID935

Nickel

溶剂HCID21226129

未命名化合物

CONDITIONS

反应条件

温度: 70 °C

PROCEDURE

实验过程

The title compound was prepared in analogy to the procedures described in Example 14 but stirring the reaction mixture at 70° C. for 7 h and using 8-(2,6-difluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid ethyl ester (Step 124.1). Diethyl-(2-nitro-1H-imidazol-4-ylmethyl)-amine (Step 18.1) instead of 2-nitroimidazole was used in Step 14.3, and Raney nickel and MeOH/THF (1:1) instead of palladium on carbon and MeOH in Step 14.2. Title compound: ESI-MS: 497.0 [M+H]+; tR=3.36 min (System 1); TLC: Rf=0.18 (DCM/MeOH/NH3aq, 91.5:7.5:1).

WORKUP

后处理

customThe title compound was prepared in analogy to the procedures

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d21348ce9d84bf1aecf5390fa3229e2
来源数据集: uspto-grants-2012_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08273882B2
来源说明: uspto-grants-2012_09

反应 SMILES

C(O[C:4]([C:6]1[C:7]2[N:8]=[CH:9][CH:10]=[N:11][C:12]=2[C:13]([C:16]2[C:21]([F:22])=[C:20]([O:23][CH3:24])[CH:19]=[C:18]([O:25][CH3:26])[C:17]=2[F:27])=[CH:14][CH:15]=1)=[O:5])C.[CH2:28]([N:30]([CH2:40][CH3:41])[CH2:31][C:32]1[N:33]=[C:34]([N+:37]([O-])=O)[NH:35][CH:36]=1)[CH3:29].CO.C1COCC1.CO>[Ni].C(Cl)Cl.CO>[CH2:28]([N:30]([CH2:31][C:32]1[N:33]=[C:34]([NH:37][C:4]([C:6]2[C:7]3[N:8]=[CH:9][CH:10]=[N:11][C:12]=3[C:13]([C:16]3[C:21]([F:22])=[C:20]([O:23][CH3:24])[CH:19]=[C:18]([O:25][CH3:26])[C:17]=3[F:27])=[CH:14][CH:15]=2)=[O:5])[NH:35][CH:36]=1)[CH2:40][CH3:41])[CH3:29]