HRID1352312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21100203

未命名化合物

结构：Cl.O=S(=O)(c1ccccc1)c1cnc(N2CCNCC2)s1

HCID67549227

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(S(=O)(=O)c3ccccc3)s2)CC1

HCID11505170

未命名化合物

收率 57%

PROCEDURE

实验过程

Prepared in analogy to example 1 (b) from 2-(2,2-dimethyl-propoxy)-5-methanesulfonyl-benzoic acid (Example A11) and 1-(5-benzenesulfonyl-thiazol-2-yl)-piperazine hydrochloride (Example 4(d)). The crude material was purified by chromatography (SiO2, ethyl acetate/heptane) followed by trituration in ether to yield the title compound as a white crystalline solid (yield 57%). MS (m/e): 578.2 (M+H+, 100%), 595.3 (M+NH4+, 92%).

WORKUP

后处理

customThe crude material was purified by chromatography (SiO2, ethyl acetate/heptane)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a24ed9192e0245228d32d25074e4c4bd
来源数据集: uspto-grants-2007_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07220744B2
来源说明: uspto-grants-2007_05

反应 SMILES

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