HRID1470517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11430

Potassium Carbonate

CK2O3

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

PRODUCTS

生成物

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

HCID446804

Dabigatran ethyl ester

C27H29N7O3

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

溶剂HCID6342

Acetonitrile

C2H3N

CONDITIONS

反应条件

温度: 12.5 °C

PROCEDURE

实验过程

Dissolved 1-methyl-2-[N-[4-amidinophenyl]aminomethyl]benzimidazol-5-yl-carboxylicacid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide oxalate compound of formula-6a (100 g) in a mixture of acetonitrile (1200 ml) and water (800 ml) and cooled to 10-15° C. Potassium carbonate (66.24 g) was added to the reaction mixture and stirred for 60 minutes at 10-15° C. Filtered the obtained solid, washed with water and then dried to get title compound.

WORKUP

后处理

filtrationFiltered the obtained solid
washwashed with water
customdried

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4de58e0a43bb4d5fbac88dc728973c97
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

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