HRID1710386

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID26979418

未命名化合物

2 次

HCID178516005

未命名化合物

2 次

结构：O=C1CCCCC(CCc2nc3cc(-c4ccc(S(=O)(=O)N5CCC5)cc4)cnc3[nH]2)N1

HCID178516007

未命名化合物

2 次

PRODUCTS

生成物

结构：Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc4[nH]c(CCC5CCCCC(=O)N5)nc4c3)cc2)c(F)c1

HCID178426725

未命名化合物

PROCEDURE

实验过程

The title compound is synthesized as described for 7-(2-{6-[4-(azetidine-1-sulfonyl)-phenyl]-3H-imidazo[4,5-b]pyridin-2-yl}-ethyl)-azepan-2-one (compound B6) from 472 mg of 4-bromo-N-(2-fluoro-4-methyl-phenyl)-benzenesulfonamide (compound C5) and 300 mg of 7-[2-(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)-ethyl]-azepan-2-one (compound C1). Purification by chromatography on flash silica gel (eluent gradient: dichloromethane/5-20 vol. % ethanol) yields 185 mg of the title compound as a waxy solid. ESI-MS: 522.2 (MH+). TLC: Rf=0.26 (dichloromethane/ethanol 10:1 parts by volume).

WORKUP

后处理

customThe title compound is synthesized
customPurification by chromatography on flash silica gel (eluent gradient: dichloromethane/5-20 vol. % ethanol)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3868143e3224f579df38801c9d497a4
来源数据集: uspto-grants-2010_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07790710B2
来源说明: uspto-grants-2010_09

反应 SMILES

N1(S(C2C=CC([C:14]3[CH:15]=[C:16]4[N:22]=[C:21]([CH2:23][CH2:24][CH:25]5[NH:31][C:30](=[O:32])[CH2:29][CH2:28][CH2:27][CH2:26]5)[NH:20][C:17]4=[N:18][CH:19]=3)=CC=2)(=O)=O)CCC1.Br[C:34]1[CH:39]=[CH:38][C:37]([S:40]([NH:43][C:44]2[CH:49]=[CH:48][C:47]([CH3:50])=[CH:46][C:45]=2[F:51])(=[O:42])=[O:41])=[CH:36][CH:35]=1.BrC1C=C2N=C(CCC3NC(=O)CCCC3)NC2=NC=1>>[F:51][C:45]1[CH:46]=[C:47]([CH3:50])[CH:48]=[CH:49][C:44]=1[NH:43][S:40]([C:37]1[CH:38]=[CH:39][C:34]([C:14]2[CH:15]=[C:16]3[N:22]=[C:21]([CH2:23][CH2:24][CH:25]4[CH2:26][CH2:27][CH2:28][CH2:29][C:30](=[O:32])[NH:31]4)[NH:20][C:17]3=[N:18][CH:19]=2)=[CH:35][CH:36]=1)(=[O:42])=[O:41]