HRID28991

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=S(=O)(c1ccccc1)n1c(-c2ccc(CCN3CCCC3)cc2)cc2c(Br)ccnc21

HCID68997974

未命名化合物

结构：CCn1cc(Br)c(-c2ccc(NC(=O)N(C)C)cc2)n1

HCID68999367

未命名化合物

PRODUCTS

生成物

结构：CCn1cc(-c2ccnc3c2cc(-c2ccc(CCN4CCCC4)cc2)n3S(=O)(=O)c2ccccc2)c(-c2ccc(NC(=O)N(C)C)cc2)n1

HCID69002632

未命名化合物

PROCEDURE

实验过程

Following the procedure described for Intermediate 32 using 4-bromo-1-(phenylsulfonyl)-2-{4-[2-(1-pyrrolidinyl)ethyl]phenyl}-1H-pyrrolo[2,3-b]pyridine and then following the procedure described for Intermediate 100 using N′-[4-(4-bromo-1-ethyl-1H-pyrazol-3-yl)phenyl]-N,N-dimethylurea and stirring for 4.5 hours provided the title compound. ESMS [M+H]+: 688.6.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d5fb053030f49ccac02583b7e3873ae
来源数据集: uspto-grants-2008_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07419988B2
来源说明: uspto-grants-2008_09

反应 SMILES

Br[C:2]1[CH:7]=[CH:6][N:5]=[C:4]2[N:8]([S:24]([C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=3)(=[O:26])=[O:25])[C:9]([C:11]3[CH:16]=[CH:15][C:14]([CH2:17][CH2:18][N:19]4[CH2:23][CH2:22][CH2:21][CH2:20]4)=[CH:13][CH:12]=3)=[CH:10][C:3]=12.Br[C:34]1[C:35]([C:41]2[CH:46]=[CH:45][C:44]([NH:47][C:48](=[O:52])[N:49]([CH3:51])[CH3:50])=[CH:43][CH:42]=2)=[N:36][N:37]([CH2:39][CH3:40])[CH:38]=1>>[CH2:39]([N:37]1[CH:38]=[C:34]([C:2]2[CH:7]=[CH:6][N:5]=[C:4]3[N:8]([S:24]([C:27]4[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=4)(=[O:25])=[O:26])[C:9]([C:11]4[CH:16]=[CH:15][C:14]([CH2:17][CH2:18][N:19]5[CH2:23][CH2:22][CH2:21][CH2:20]5)=[CH:13][CH:12]=4)=[CH:10][C:3]=23)[C:35]([C:41]2[CH:46]=[CH:45][C:44]([NH:47][C:48](=[O:52])[N:49]([CH3:51])[CH3:50])=[CH:43][CH:42]=2)=[N:36]1)[CH3:40]