HRID1797941

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)Nc3ccnc4cc(Cl)ccc34)cc2)c1

HCID57504195

未命名化合物

PRODUCTS

生成物

结构：CCCCN1CCN(C(=N)c2cccc(NC(=O)Nc3ccc(S(=O)(=O)Nc4ccnc5cc(Cl)ccc45)cc3)c2)CC1

HCID46852139

未命名化合物

收率 25%

PROCEDURE

实验过程

The title compound was prepared from N-(7-chloroquinolin-4-yl)-4-(3-(3-cyanophenyl)ureido)benzenesulfonamide following procedure C and using 2.2 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-d8ccbdb214894d91b5fcf131790220c9
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

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