HRID1797954

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID424322

1-Butylpiperazine

C8H18N2

结构：N#Cc1cccc(NC(=O)Nc2ccc(S(=O)(=O)NCc3c(F)ccc(F)c3F)cc2)c1

HCID22318909

未命名化合物

PRODUCTS

生成物

结构：CCCCN1CCN(C(=N)c2cccc(NC(=O)Nc3ccc(S(=O)(=O)NCc4c(F)ccc(F)c4F)cc3)c2)CC1

HCID46851818

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from 4-(3-(3-cyanophenyl)ureido)-N-(2,3,6-trifluorobenzyl)benzenesulfonamide following procedure C and using 3 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-4dbb1cee41354742badedbb5790b3da9
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][CH2:22][C:23]3[C:28]([F:29])=[CH:27][CH:26]=[C:25]([F:30])[C:24]=3[F:31])(=[O:20])=[O:19])=[CH:14][CH:13]=2)[CH:6]=[CH:7][CH:8]=1)#[N:2].[CH2:33]([N:37]1[CH2:42][CH2:41][NH:40][CH2:39][CH2:38]1)[CH2:34][CH2:35][CH3:36]>>[CH2:33]([N:37]1[CH2:42][CH2:41][N:40]([C:1](=[NH:2])[C:3]2[CH:4]=[C:5]([NH:9][C:10](=[O:32])[NH:11][C:12]3[CH:17]=[CH:16][C:15]([S:18]([NH:21][CH2:22][C:23]4[C:28]([F:29])=[CH:27][CH:26]=[C:25]([F:30])[C:24]=4[F:31])(=[O:19])=[O:20])=[CH:14][CH:13]=3)[CH:6]=[CH:7][CH:8]=2)[CH2:39][CH2:38]1)[CH2:34][CH2:35][CH3:36]