HRID1710387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID61059994

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：CN(CC1CCCO1)S(=O)(=O)c1ccc(-c2cnc3[nH]c(CCC4CCCCC(=O)N4)nc3c2)cc1

HCID178482879

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 458 mg of 4-bromo-N-methyl-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide (compound C7) 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/0-20 vol. % ethanol) yields 174 mg of the title compound as a waxy solid. ESI-MS: 512.4 (MH+). TLC: Rf=0.30 (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/0-20 vol. % ethanol)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c589fc5e96c49088af1109abc3b2758
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]([N:43]([CH3:50])[CH2:44][CH:45]2[CH2:49][CH2:48][CH2:47][O:46]2)(=[O:42])=[O:41])=[CH:36][CH:35]=1.BrC1C=C2N=C(CCC3NC(=O)CCCC3)NC2=NC=1>>[CH3:50][N:43]([CH2:44][CH:45]1[CH2:49][CH2:48][CH2:47][O:46]1)[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]