HRID2288496

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(c1cnn(C)c1)S(=O)(=O)c1ccc2c(c1)nc(CNc1ccc(C#N)cc1)n2C

HCID18412714

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCN(c1cnn(C)c1)S(=O)(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C.Cl

HCID18412489

未命名化合物

收率 38%

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-cyanophenyl)-aminomethyl]-benzimidazol-5-yl-sulphonic acid-N-(1-methylpyrazol-4-yl)-N-(2-ethoxycarbonylethyl)-amide, ethanolic hydrochloric acid, ethanol and ammonium carbonate. Yield: 38% of theory, C25H30N8O4S (538.6) Rf value: 0.09 (silica gel; dichloromethane/ethanol=9:1) EKA mass spectrum: (M+H)+ =539

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06a663aaabdb41c3bd09aed82e7bd74a
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

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