HRID50304

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22466

Carbonochloridic acid, hexyl ester

C7H13ClO2

HCID21584144

Dichloromethane ethanol

C3H8Cl2O

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

HCID86587044

未命名化合物

PRODUCTS

生成物

结构：CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OC)c4ccccc4)ccc3n2C)cc1

HCID140409622

未命名化合物

收率 54%

PROCEDURE

实验过程

Prepared analogously to Example 90 from 1-methyl-2-[N-(4-amidinophenyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-phenyl-N-(2-methoxy-carbonylethyl)amide hydrochloride and n-hexyl chloroformate. Yield: 54% of theory, C34H40N6O5 (612.7); Rf value: 0.45 (silica gel; dichloromethane/ethanol=19:1); EKA mass spectrum: (M+H)+=613.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c14b881417f9430c8bc76c3ab3fc2b52
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.[C:2]1([N:8]([CH2:32][C:33](=[C:36]=[O:37])OC)[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:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl[C:39]([O:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47])=[O:40].ClCCl.[CH2:51]([OH:53])C>>[C:2]1([N:8]([CH2:32][CH2:33][C:36]([O:53][CH3:51])=[O:37])[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])[NH:27][C:39]([O:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47])=[O:40])=[CH:22][CH:21]=4)=[N:17][C:13]=3[CH:12]=2)=[O:10])[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1