HRID1864445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11521711

3-(1-Piperazinyl)-1,2-benzisothiazole monohydrochloride

C11H14ClN3S

结构：O=C(O)C1CN(S(=O)(=O)c2ccccc2)C(=O)N1c1ccccc1Cl

HCID67140727

未命名化合物

PRODUCTS

生成物

结构：O=C(C1CN(S(=O)(=O)c2ccccc2)C(=O)N1c1ccccc1Cl)N1CCN(c2nsc3ccccc23)CC1

HCID25030478

未命名化合物

PROCEDURE

实验过程

In analogy to example 1, (RS)-1-benzenesulfonyl-3-(2-chloro-phenyl)-2-oxo-imidazolidine-4-carboxylic acid (example 49, step 2) was coupled with 3-piperazin-1-yl-benzo[d]isothiazole hydrochloride to give the title compound as a colorless solid. MS: 581.6 ([M+H]+)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e569155ec9b4c17bdcbfbe15ace2e80
来源数据集: uspto-grants-2009_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07625902B2
来源说明: uspto-grants-2009_12

反应 SMILES

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