HRID50323

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81956

Carbonochloridic acid, octyl ester

C9H17ClO2

结构：CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C)c1cccnc1.Cl

HCID18412473

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4cccnc4)ccc3n2C)cc1

HCID140443503

未命名化合物

收率 35%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID21584144

Dichloromethane ethanol

C3H8Cl2O

PROCEDURE

实验过程

Prepared analogously to Example 90 from 1-methyl-2-[N-(4-amidinophenyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-(3-pyridyl)-N-(2-ethoxycarbonylethyl)amide hydrochloride and n-octyl chloroformate. Yield: 35% of theory, C36H45N7O5 (655.8); Rf value: 0.28 (silica gel; dichloromethane/ethanol=19:1); EKA mass spectrum: (M+H)+=656; (M+2H)++=328.7.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-889aebb0368e40aa9d1a5a9f0df5d1be
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

Cl.[N:2]1[CH:7]=[CH:6][CH:5]=[C:4]([N:8]([CH2:32][CH2:33][C:34]([O:36][CH2:37][CH3:38])=[O:35])[C:9]([C:11]2[CH:31]=[CH:30][C:14]3[N:15]([CH3:29])[C:16]([CH2:18][NH:19][C:20]4[CH:25]=[CH:24][C:23]([C:26](=[NH:28])[NH2:27])=[CH:22][CH:21]=4)=[N:17][C:13]=3[CH:12]=2)=[O:10])[CH:3]=1.Cl[C:40]([O:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50])=[O:41]>ClCCl.C(O)C>[N:2]1[CH:7]=[CH:6][CH:5]=[C:4]([N:8]([CH2:32][CH2:33][C:34]([O:36][CH2:37][CH3:38])=[O:35])[C:9]([C:11]2[CH:31]=[CH:30][C:14]3[N:15]([CH3:29])[C:16]([CH2:18][NH:19][C:20]4[CH:21]=[CH:22][C:23]([C:26](=[NH:27])[NH:28][C:40]([O:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50])=[O:41])=[CH:24][CH:25]=4)=[N:17][C:13]=3[CH:12]=2)=[O:10])[CH:3]=1