HRID2288546

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22466

Carbonochloridic acid, hexyl ester

C7H13ClO2

结构：Cn1c(CCc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCc3nnn[nH]3)c3ccccc3)ccc21

HCID178480190

未命名化合物

PRODUCTS

生成物

结构：CCCCCCOC(=O)NC(=N)c1ccc(CCc2nc3cc(C(=O)N(CCc4nnn[nH]4)c4ccccc4)ccc3n2C)cc1

HCID178445089

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID21226129

未命名化合物

PROCEDURE

实验过程

Prepared analogously to Example 90 from 1-methyl-2-[2-(4-amidinophenyl)-ethyl]-benzimidazol-5-yl-carboxylic acid-N-phenyl-N-[2-(1H-tetrazol-5-yl)-ethyl]-amide and n-hexyl chloroformate. Yield: % of theory, C34H39N9O3 (621.7) Rf value: (silica gel; dichloromethane/methanol=4:1)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a7f2fa6eedd4f6f96e6d8c077f95ef7
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

[C:1]1([N:7]([CH2:31][CH2:32][C:33]2[NH:37][N:36]=[N:35][N:34]=2)[C:8]([C:10]2[CH:30]=[CH:29][C:13]3[N:14]([CH3:28])[C:15]([CH2:17][CH2:18][C:19]4[CH:24]=[CH:23][C:22]([C:25](=[NH:27])[NH2:26])=[CH:21][CH:20]=4)=[N:16][C:12]=3[CH:11]=2)=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Cl[C:39]([O:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47])=[O:40]>ClCCl.CO>[C:1]1([N:7]([CH2:31][CH2:32][C:33]2[NH:37][N:36]=[N:35][N:34]=2)[C:8]([C:10]2[CH:30]=[CH:29][C:13]3[N:14]([CH3:28])[C:15]([CH2:17][CH2:18][C:19]4[CH:20]=[CH:21][C:22]([C:25](=[NH:26])[NH:27][C:39]([O:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47])=[O:40])=[CH:23][CH:24]=4)=[N:16][C:12]=3[CH:11]=2)=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1