HRID50289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID517111

Ammonium carbonate

CH8N2O3

结构：CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C#N)cc1)n2CC)c1ccccn1

HCID18412469

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.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

收率 85%

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 25d from 1-ethyl-2-[N-(4-cyanophenyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide and ethanolic hydrochloric acid, ethanol, and ammonium carbonate. Yield: 85% of theory, C28H31N7O3 (513.6); Rf value: 0.21 (silica gel; dichloromethane/methanol=5:1); EKA mass spectrum: (M+H)+=514; (M+H+Na)++=268.6; (M+2H)++=257.7.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6df13b9bf1204101b07973a170a25fe6
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

[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]([CH2:27]C)[C:15]([CH2:17][NH:18][C:19]3[CH:24]=[CH:23][C:22]([C:25]#[N:26])=[CH:21][CH:20]=3)=[N:16][C:12]=2[CH:11]=1)=[O:9].[ClH:38].C(O)C.C(=O)([O-])[O-].[NH4+:46].[NH4+]>ClCCl.CO>[ClH:38].[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]([CH3:27])[C:15]([CH2:17][NH:18][C:19]3[CH:20]=[CH:21][C:22]([C:25](=[NH:26])[NH2:46])=[CH:23][CH:24]=3)=[N:16][C:12]=2[CH:11]=1)=[O:9]