HRID1797974

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3844375

1-(Piperazin-1-yl)propan-1-one

C7H14N2O

反应SMILES：N#Cc1cccc(NC(=O)Nc2ccc(S(=O)(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2)c1

HCID57496180

未命名化合物

PRODUCTS

产物

反应SMILES：CCC(=O)N1CCN(C(=N)c2cccc(NC(=O)Nc3ccc(S(=O)(=O)NCc4ccc(S(N)(=O)=O)cc4)cc3)c2)CC1

HCID57496160

未命名化合物

收率 16%

PROCEDURE

实验过程

The title compound was prepared from 4-(3-(3-cyanophenyl)ureido)-N-(4-sulfamoylbenzyl)benzenesulfonamide following procedure C and using 1 equivalent of 1-(piperazin-1-yl)propan-1-one 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-79bcd55832284f578c932b9f2a3b7cac
来源数据集: uspto-grants-2013_01
DOI: 10.6084/m9.figshare.5104873.v1
专利号: 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:33])[NH:11][C:12]2[CH:17]=[CH:16][C:15]([S:18]([NH:21][CH2:22][C:23]3[CH:28]=[CH:27][C:26]([S:29](=[O:32])(=[O:31])[NH2:30])=[CH:25][CH:24]=3)(=[O:20])=[O:19])=[CH:14][CH:13]=2)[CH:6]=[CH:7][CH:8]=1)#[N:2].[N:34]1([C:40](=[O:43])[CH2:41][CH3:42])[CH2:39][CH2:38][NH:37][CH2:36][CH2:35]1>>[NH:2]=[C:1]([N:37]1[CH2:38][CH2:39][N:34]([C:40](=[O:43])[CH2:41][CH3:42])[CH2:35][CH2:36]1)[C:3]1[CH:4]=[C:5]([NH:9][C:10](=[O:33])[NH:11][C:12]2[CH:17]=[CH:16][C:15]([S:18]([NH:21][CH2:22][C:23]3[CH:28]=[CH:27][C:26]([S:29](=[O:32])(=[O:31])[NH2:30])=[CH:25][CH:24]=3)(=[O:20])=[O:19])=[CH:14][CH:13]=2)[CH:6]=[CH:7][CH:8]=1