HRID1992488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734323

3-Chlorophenylboronic acid

C6H6BClO2

结构：CC(C)N1CCN(C(=O)c2ccc3[nH]c(C(=O)N4CCN(S(=O)(=O)C5CC5)CC4)cc3c2)CC1

HCID68535679

(4-Cyclopropanesulfonyl-piperazin-1-yl)-[5-(4-isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-methanone

C24H33N5O4S

PRODUCTS

生成物

结构：CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCN(S(=O)(=O)C4CC4)CC2)n3-c2cccc(Cl)c2)CC1

HCID68535689

未命名化合物

收率 41%

PROCEDURE

实验过程

The title compound was synthesized in analogy to example 5, from (4-cyclopropanesulfonyl-piperazin-1-yl)-[5-(4-isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-methanone (example 33) and 3-chlorophenylboronic acid to afford the desired product as a light brown foam (41%). MS (ISP): 598.3 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcd56698b90e413bbbc10253e76f0198
来源数据集: uspto-grants-2010_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07648979B2
来源说明: uspto-grants-2010_01

反应 SMILES

[CH:1]1([S:4]([N:7]2[CH2:12][CH2:11][N:10]([C:13]([C:15]3[NH:16][C:17]4[C:22]([CH:23]=3)=[CH:21][C:20]([C:24]([N:26]3[CH2:31][CH2:30][N:29]([CH:32]([CH3:34])[CH3:33])[CH2:28][CH2:27]3)=[O:25])=[CH:19][CH:18]=4)=[O:14])[CH2:9][CH2:8]2)(=[O:6])=[O:5])[CH2:3][CH2:2]1.[Cl:35][C:36]1[CH:37]=[C:38](B(O)O)[CH:39]=[CH:40][CH:41]=1>>[Cl:35][C:36]1[CH:41]=[C:40]([N:16]2[C:17]3[C:22](=[CH:21][C:20]([C:24]([N:26]4[CH2:27][CH2:28][N:29]([CH:32]([CH3:34])[CH3:33])[CH2:30][CH2:31]4)=[O:25])=[CH:19][CH:18]=3)[CH:23]=[C:15]2[C:13]([N:10]2[CH2:9][CH2:8][N:7]([S:4]([CH:1]3[CH2:2][CH2:3]3)(=[O:5])=[O:6])[CH2:12][CH2:11]2)=[O:14])[CH:39]=[CH:38][CH:37]=1