HRID1470514

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID971

Oxalic acid

C2H2O4

结构：CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C)c1ccccn1

HCID446804

Dabigatran ethyl ester

C27H29N7O3

PRODUCTS

生成物

结构：CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C)c1ccccn1.O=C(O)C(=O)O

HCID57389347

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID702

Ethanol

C2H6O

2 次

CONDITIONS

反应条件

温度: 55 °C

PROCEDURE

实验过程

A mixture of 1-methyl-2-[N-[4-amidinophenyl]aminomethyl]benzimidazol-5-yl-carboxylicacid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide compound of formula-5 (100 g) and ethanol (1200 ml) was heated to 50-60° C. A solution of oxalic acid (25.25 g) in ethanol (1500 ml) was added to the above reaction mixture at 50-60° C. and stirred for 45 minutes. The reaction mixture was cooled to 25-35° C. and stirred for 6 hours at 25-35° C. Filtered the solid, washed with ethanol and then dried to get the title compound.

WORKUP

后处理

temperatureThe reaction mixture was cooled to 25-35° C.
stirringstirred for 6 hours at 25-35° C
filtrationFiltered the solid
washwashed with ethanol
customdried

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d548663fb9c64f02b3ede67f1688ca4a
来源数据集: uspto-grants-2015_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09006448B2
来源说明: uspto-grants-2015_04

反应 SMILES

[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[N:7]([CH2:31][CH2:32][C:33]([O:35][CH2:36][CH3:37])=[O:34])[C:8]([C:10]1[CH:30]=[CH:29][C:13]2[N:14]([CH3:28])[C:15]([CH2:17][NH:18][C:19]3[CH:24]=[CH:23][C:22]([C:25](=[NH:27])[NH2:26])=[CH:21][CH:20]=3)=[N:16][C:12]=2[CH:11]=1)=[O:9].[C:38]([OH:43])(=[O:42])[C:39]([OH:41])=[O:40]>C(O)C>[C:38]([OH:43])(=[O:42])[C:39]([OH:41])=[O:40].[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[N:7]([CH2:31][CH2:32][C:33]([O:35][CH2:36][CH3:37])=[O:34])[C:8]([C:10]1[CH:30]=[CH:29][C:13]2[N:14]([CH3:28])[C:15]([CH2:17][NH:18][C:19]3[CH:24]=[CH:23][C:22]([C:25](=[NH:26])[NH2:27])=[CH:21][CH:20]=3)=[N:16][C:12]=2[CH:11]=1)=[O:9]