HRID50394

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID85368

4-Ethylbenzoyl chloride

C9H9ClO

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

HCID18412337

Ethyl N-{2-[(4-carbamimidoylanilino)methyl]-1-methyl-1H-benzimidazole-5-carbonyl}-N-pyridin-2-yl-beta-alaninate--hydrogen chloride (1/1)

C27H30ClN7O3

PRODUCTS

生成物

结构：CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)NC(=O)c3ccc(CC)cc3)cc1)n2C)c1ccccn1

HCID140409611

未命名化合物

收率 64%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID21226129

未命名化合物

PROCEDURE

实验过程

Prepared analogously to Example 90 from 1-methyl-2-[N-(4-amidinophenyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide hydrochloride and 4-ethylbenzoylchloride. Yield: 64% of theory, C36H37N7O4 (631.7); Rf value: 0.78 (silica gel; dichloromethane/methanol=9:1); EKA mass spectrum: (M+H)+=632; (M+H+Na)++=327.8; (M+Na)+=654.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f9d05a036134b088ef1ed720118172a
来源数据集: uspto-grants-2004_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06710055B2
来源说明: uspto-grants-2004_03

反应 SMILES

Cl.[N:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]([CH2:32][CH2:33][C:34]([O:36][CH2:37][CH3:38])=[O:35])[C:9]([C:11]1[CH:31]=[CH:30][C:14]2[N:15]([CH3:29])[C:16]([CH2:18][NH:19][C:20]3[CH:25]=[CH:24][C:23]([C:26](=[NH:28])[NH2:27])=[CH:22][CH:21]=3)=[N:17][C:13]=2[CH:12]=1)=[O:10].[CH2:39]([C:41]1[CH:49]=[CH:48][C:44]([C:45](Cl)=[O:46])=[CH:43][CH:42]=1)[CH3:40]>ClCCl.CO>[N:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]([CH2:32][CH2:33][C:34]([O:36][CH2:37][CH3:38])=[O:35])[C:9]([C:11]1[CH:31]=[CH:30][C:14]2[N:15]([CH3:29])[C:16]([CH2:18][NH:19][C:20]3[CH:25]=[CH:24][C:23]([C:26](=[NH:27])[NH:28][C:45](=[O:46])[C:44]4[CH:48]=[CH:49][C:41]([CH2:39][CH3:40])=[CH:42][CH:43]=4)=[CH:22][CH:21]=3)=[N:17][C:13]=2[CH:12]=1)=[O:10]