HRID50246

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14798

Sodium Hydroxide

HNaO

结构：CCOC(=O)CCCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C)c1ccccc1.Cl.Cl

HCID18412677

未命名化合物

PRODUCTS

生成物

结构：Cl.Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCCC(=O)O)c3ccccc3)ccc21

HCID18412385

未命名化合物

收率 73.5%

PROCEDURE

实验过程

Prepared analogously to Example 26 from 1-methyl-2-[N-(4-amidinophenyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-phenyl-N-(3-ethoxycarbonylpropyl)amide dihydrochloride and sodium hydroxide solution. Yield: 73.5% of theory, C27H28N6O3 (484.6); EKA mass spectrum: (M+H)+=485; (M+2H)++=243; (M+H+Na)++=254.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ab96f2a93904c43baacdb8086dbc109
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

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