HRID2288534

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)cc1OC)n2C)c1ccccn1

HCID18412520

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1OC)n2C)c1ccccn1.Cl

HCID18412588

未命名化合物

收率 67%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID21584144

Dichloromethane ethanol

C3H8Cl2O

PROCEDURE

实验过程

Prepared analogously to Example 25d from 1-methyl-2-[N-(4-cyano-2-methoxy-phenyl)-aminomethyl]-benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)-amide and ethanolic hydrochloric acid, ethanol and ammonium carbonate. Yield: 67% of theory, C28H31N7O4 (529.6) Rf value: 0.16 (silica gel; dichloromethane/ethanol=4:1) EKA mass spectrum: (M+H)+ =530

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e8741257bd44494bcf237b03a5666a9
来源数据集: uspto-grants-2000_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06087380
来源说明: uspto-grants-2000_07

反应 SMILES

[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[N:7]([CH2:32][CH2:33][C:34]([O:36][CH2:37][CH3:38])=[O:35])[C:8]([C:10]1[CH:31]=[CH:30][C:13]2[N:14]([CH3:29])[C:15]([CH2:17][NH:18][C:19]3[CH:24]=[CH:23][C:22]([C:25]#[N:26])=[CH:21][C:20]=3[O:27][CH3:28])=[N:16][C:12]=2[CH:11]=1)=[O:9].[ClH:39].C(O)C.C(=O)([O-])[O-].[NH4+:47].[NH4+]>ClCCl.C(O)C>[ClH:39].[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[N:7]([CH2:32][CH2:33][C:34]([O:36][CH2:37][CH3:38])=[O:35])[C:8]([C:10]1[CH:31]=[CH:30][C:13]2[N:14]([CH3:29])[C:15]([CH2:17][NH:18][C:19]3[CH:24]=[CH:23][C:22]([C:25](=[NH:47])[NH2:26])=[CH:21][C:20]=3[O:27][CH3:28])=[N:16][C:12]=2[CH:11]=1)=[O:9]