HRID1797943

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID142729

1-Piperazinecarboxylic acid, methyl ester

C6H12N2O2

结构：N#Cc1cccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)c1

HCID57496178

未命名化合物

PRODUCTS

生成物

结构：COC(=O)N1CCN(C(=N)c2cccc(NC(=O)Nc3ccc(S(=O)(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)c2)CC1

HCID57496140

未命名化合物

收率 5.3%

PROCEDURE

实验过程

The title compound was prepared from 4-(3-(3-cyanophenyl)ureido)-N-(4-sulfamoylphenyl)benzenesulfonamide following procedure C and using 1 equivalent of methyl piperazine-1-carboxylate as secondary amine and 1 equivalent of DIEA as base. 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-1248aa808c254e1b9b050c5a86524b06
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:32])[NH:11][C:12]2[CH:17]=[CH:16][C:15]([S:18]([NH:21][C:22]3[CH:27]=[CH:26][C:25]([S:28](=[O:31])(=[O:30])[NH2:29])=[CH:24][CH:23]=3)(=[O:20])=[O:19])=[CH:14][CH:13]=2)[CH:6]=[CH:7][CH:8]=1)#[N:2].[N:33]1([C:39]([O:41][CH3:42])=[O:40])[CH2:38][CH2:37][NH:36][CH2:35][CH2:34]1.CCN(C(C)C)C(C)C>>[NH:2]=[C:1]([C:3]1[CH:8]=[CH:7][CH:6]=[C:5]([NH:9][C:10]([NH:11][C:12]2[CH:17]=[CH:16][C:15]([S:18](=[O:20])(=[O:19])[NH:21][C:22]3[CH:27]=[CH:26][C:25]([S:28](=[O:30])(=[O:31])[NH2:29])=[CH:24][CH:23]=3)=[CH:14][CH:13]=2)=[O:32])[CH:4]=1)[N:36]1[CH2:37][CH2:38][N:33]([C:39]([O:41][CH3:42])=[O:40])[CH2:34][CH2:35]1