HRID1992479

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734388

3-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

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

HCID68538998

未命名化合物

PRODUCTS

生成物

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

HCID68536690

未命名化合物

收率 79%

PROCEDURE

实验过程

The title compound was synthesized in analogy to example 5, after stirring for 6.5 days at 35° C., from (4-cyclopropanecarbonyl-piperazin-1-yl)-[5-(4-isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-methanone (example 25) and 3-(trifluoromethyl)-phenylboronic acid to afford the desired product as a colorless gum (79%). MS (ISP): 596.3 (M+H)+.

WORKUP

后处理

customThe title compound was synthesized in analogy to example 5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-599611546daf4b29823a6aa80310c788
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([C:4]([N:6]2[CH2:11][CH2:10][N:9]([C:12]([C:14]3[NH:15][C:16]4[C:21]([CH:22]=3)=[CH:20][C:19]([C:23]([N:25]3[CH2:30][CH2:29][N:28]([CH:31]([CH3:33])[CH3:32])[CH2:27][CH2:26]3)=[O:24])=[CH:18][CH:17]=4)=[O:13])[CH2:8][CH2:7]2)=[O:5])[CH2:3][CH2:2]1.[F:34][C:35]([F:46])([F:45])[C:36]1[CH:37]=[C:38](B(O)O)[CH:39]=[CH:40][CH:41]=1>>[CH:1]1([C:4]([N:6]2[CH2:7][CH2:8][N:9]([C:12]([C:14]3[N:15]([C:40]4[CH:39]=[CH:38][CH:37]=[C:36]([C:35]([F:46])([F:45])[F:34])[CH:41]=4)[C:16]4[C:21]([CH:22]=3)=[CH:20][C:19]([C:23]([N:25]3[CH2:30][CH2:29][N:28]([CH:31]([CH3:33])[CH3:32])[CH2:27][CH2:26]3)=[O:24])=[CH:18][CH:17]=4)=[O:13])[CH2:10][CH2:11]2)=[O:5])[CH2:3][CH2:2]1