HRID1797961

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID424322

1-Butylpiperazine

C8H18N2

结构：CC(NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C#N)c2)cc1)c1ccc(S(N)(=O)=O)cc1

HCID57496183

未命名化合物

PRODUCTS

生成物

结构：CCCCN1CCN(C(=N)c2cccc(NC(=O)Nc3ccc(S(=O)(=O)NC(C)c4ccc(S(N)(=O)=O)cc4)cc3)c2)CC1

HCID46852143

未命名化合物

收率 8%

PROCEDURE

实验过程

The title compound was prepared from 4-(3-(3-cyanophenyl)ureido)-N-(1-(4-sulfamoylphenyl)ethyl)benzenesulfonamide following procedure C and using 2 equivalents of n-butylpiperazine as secondary amine. The product was purified by preparative HPLC.

WORKUP

后处理

customThe product was purified by preparative HPLC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52494ba9747345f58c9f43581d20fb1c
来源数据集: uspto-grants-2013_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08343963B2
来源说明: uspto-grants-2013_01

反应 SMILES

[C:1]([C:3]1[CH:4]=[C:5]([NH:9][C:10](=[O:34])[NH:11][C:12]2[CH:17]=[CH:16][C:15]([S:18]([NH:21][CH:22]([C:24]3[CH:29]=[CH:28][C:27]([S:30](=[O:33])(=[O:32])[NH2:31])=[CH:26][CH:25]=3)[CH3:23])(=[O:20])=[O:19])=[CH:14][CH:13]=2)[CH:6]=[CH:7][CH:8]=1)#[N:2].[CH2:35]([N:39]1[CH2:44][CH2:43][NH:42][CH2:41][CH2:40]1)[CH2:36][CH2:37][CH3:38]>>[CH2:35]([N:39]1[CH2:44][CH2:43][N:42]([C:1](=[NH:2])[C:3]2[CH:4]=[C:5]([NH:9][C:10](=[O:34])[NH:11][C:12]3[CH:17]=[CH:16][C:15]([S:18]([NH:21][CH:22]([C:24]4[CH:29]=[CH:28][C:27]([S:30](=[O:32])(=[O:33])[NH2:31])=[CH:26][CH:25]=4)[CH3:23])(=[O:20])=[O:19])=[CH:14][CH:13]=3)[CH:6]=[CH:7][CH:8]=2)[CH2:41][CH2:40]1)[CH2:36][CH2:37][CH3:38]