HRID50389

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCCOCc4ccccc4)c4ccccc4)ccc3n2C)cc1

HCID140409624

未命名化合物

PRODUCTS

生成物

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

HCID140409614

未命名化合物

收率 26%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID21584144

Dichloromethane ethanol

C3H8Cl2O

PROCEDURE

实验过程

Prepared analogously to Example 165 from 1-methyl-2-[N-[4-(N-n-hexyloxycarbonylamidino)phenyl]aminomethyl]benzimidazol-5-yl-carboxylic acid-N-phenyl-N-(3-benzyloxy-n-propyl)amide by catalytic debenzylation. Yield: 26% of theory, C33H40N6O4 (584.7); Rf value: 0.39 (silica gel; dichloromethane/ethanol=9:1); EKA mass spectrum: (M+H)+=585; (M+H+Na)++=304; (M+Na)+=607.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4a6d00089214e86860bb24c81308b39
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

[C:1]1([N:7]([CH2:40][CH2:41][CH2:42][O:43]CC2C=CC=CC=2)[C:8]([C:10]2[CH:39]=[CH:38][C:13]3[N:14]([CH3:37])[C:15]([CH2:17][NH:18][C:19]4[CH:24]=[CH:23][C:22]([C:25](=[NH:36])[NH:26][C:27]([O:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])=[O:28])=[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>ClCCl.C(O)C>[C:1]1([N:7]([CH2:40][CH2:41][CH2:42][OH:43])[C:8]([C:10]2[CH:39]=[CH:38][C:13]3[N:14]([CH3:37])[C:15]([CH2:17][NH:18][C:19]4[CH:24]=[CH:23][C:22]([C:25](=[NH:36])[NH:26][C:27]([O:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])=[O:28])=[CH:21][CH:20]=4)=[N:16][C:12]=3[CH:11]=2)=[O:9])[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1