HRID50348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID517111

Ammonium carbonate

CH8N2O3

结构：CCCCN(Cc1nc2cc(C(=O)N(CCC(=O)OCC)c3ccccc3)ccc2n1C)c1ccc(C#N)cc1

HCID18412587

未命名化合物

PRODUCTS

生成物

结构：CCCCN(Cc1nc2cc(C(=O)N(CCC(=O)OCC)c3ccccc3)ccc2n1C)c1ccc(C(=N)N)cc1.Cl

HCID18412316

未命名化合物

收率 62%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID702

Ethanol

C2H6O

PROCEDURE

实验过程

Prepared analogously to Example 25d from 1-methyl-2-[N-(4-cyanophenyl)-N-(n-butyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-phenyl-N-(2-ethoxycarbonylethyl)amide, ethanolic hydrochloric acid, ethanol, and ammonium carbonate. Yield: 62% of theory, C32H38N6O3 (554.7); EKA mass spectrum: (M+H)+=555; (M+H+Na)++=289; (M+2H)++=278.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11e19c0a7bd741c0a1cf8d9264bb9467
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

[C:1]1([N:7]([CH2:34][CH2:35][C:36]([O:38][CH2:39][CH3:40])=[O:37])[C:8]([C:10]2[CH:33]=[CH:32][C:13]3[N:14]([CH3:31])[C:15]([CH2:17][N:18]([C:23]4[CH:28]=[CH:27][C:26]([C:29]#[N:30])=[CH:25][CH:24]=4)[CH2:19][CH2:20][CH2:21][CH3:22])=[N:16][C:12]=3[CH:11]=2)=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[ClH:41].C(=O)([O-])[O-].[NH4+:46].[NH4+]>C(O)C>[ClH:41].[C:1]1([N:7]([CH2:34][CH2:35][C:36]([O:38][CH2:39][CH3:40])=[O:37])[C:8]([C:10]2[CH:33]=[CH:32][C:13]3[N:14]([CH3:31])[C:15]([CH2:17][N:18]([C:23]4[CH:24]=[CH:25][C:26]([C:29](=[NH:46])[NH2:30])=[CH:27][CH:28]=4)[CH2:19][CH2:20][CH2:21][CH3:22])=[N:16][C:12]=3[CH:11]=2)=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1