HRID10947

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC(=O)CC(NS(=O)(=O)c1cccc(-c2cccc(NC(=S)Nc3ccccc3N)c2)c1)c1ccccc1

HCID21982385

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC(NS(=O)(=O)c1cccc(-c2cccc(Nc3nc4ccccc4[nH]3)c2)c1)c1ccccc1

HCID21982519

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID30856

Mercuric oxide

HgO

溶剂HCID6212

Chloroform

CHCl3

PROCEDURE

实验过程

43 g (75 mmol) of Ethyl 3-{[(3′-{[(2-aminoanilino)carbothioyl]amino}[1,1′-biphenyl]-3-yl)sulfonyl]amino}-3-phenyl-propanoate 11.1.1 and 16.24 g (75 mmol) of yellow mercury oxide were mixed with 1.51 CHCl3 and refluxed for 6 h. The resulting material was purified via flash chromatography (dichloromethane/acetic acid ethyl ester 3+1). Recrystallization from acetic acid ethyl ester led to 27.8 g (68%).

WORKUP

后处理

temperaturerefluxed for 6 h
customThe resulting material was purified via flash chromatography (dichloromethane/acetic acid ethyl ester 3+1)
customRecrystallization from acetic acid ethyl ester

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-660d63e58a12491cb152bc9a8923af2b
来源数据集: uspto-grants-2006_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07094911B2
来源说明: uspto-grants-2006_08

反应 SMILES

[NH2:1][C:2]1[CH:40]=[CH:39][CH:38]=[CH:37][C:3]=1[NH:4][C:5]([NH:7][C:8]1[CH:9]=[C:10]([C:14]2[CH:19]=[CH:18][CH:17]=[C:16]([S:20]([NH:23][CH:24]([C:31]3[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=3)[CH2:25][C:26]([O:28][CH2:29][CH3:30])=[O:27])(=[O:22])=[O:21])[CH:15]=2)[CH:11]=[CH:12][CH:13]=1)=S>[Hg]=O.C(Cl)(Cl)Cl>[NH:4]1[C:3]2[CH:37]=[CH:38][CH:39]=[CH:40][C:2]=2[N:1]=[C:5]1[NH:7][C:8]1[CH:9]=[C:10]([C:14]2[CH:19]=[CH:18][CH:17]=[C:16]([S:20]([NH:23][CH:24]([C:31]3[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=3)[CH2:25][C:26]([O:28][CH2:29][CH3:30])=[O:27])(=[O:22])=[O:21])[CH:15]=2)[CH:11]=[CH:12][CH:13]=1