HRID2531

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID444972

Fumaric acid

C4H4O4

结构：CNc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccnc2)cc1

HCID19690025

未命名化合物

PRODUCTS

生成物

结构：CNc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccnc2)cc1.CNc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccnc2)cc1.O=C(O)/C=C/C(=O)O

HCID131720572

未命名化合物

收率 79.2%

PROCEDURE

实验过程

Using 4-methylamino-N-{2-[4-(4-fluorobenzoyl)piperidino]ethyl}-N-(3-pyridyl)benzamide (209.5 mg, 0.45 mmol) and fumaric acid (26.7 mg, 0.23 mmol), the procedure of Inventive Example 271 was repeated to obtain 184.9 mg (79.2%) of the title compound in a light brown powder form.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0202fb642d54f90b89cb29bdb39c9eb
来源数据集: uspto-grants-1998_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05728835
来源说明: uspto-grants-1998_03

反应 SMILES

[CH3:1][NH:2][C:3]1[CH:34]=[CH:33][C:6]([C:7]([N:9]([CH2:16][CH2:17][N:18]2[CH2:23][CH2:22][CH:21]([C:24](=[O:32])[C:25]3[CH:30]=[CH:29][C:28]([F:31])=[CH:27][CH:26]=3)[CH2:20][CH2:19]2)[C:10]2[CH:11]=[N:12][CH:13]=[CH:14][CH:15]=2)=[O:8])=[CH:5][CH:4]=1.[C:35]([OH:42])(=[O:41])/[CH:36]=[CH:37]/[C:38]([OH:40])=[O:39]>>[C:35]([OH:42])(=[O:41])/[CH:36]=[CH:37]/[C:38]([OH:40])=[O:39].[CH3:1][NH:2][C:3]1[CH:4]=[CH:5][C:6]([C:7]([N:9]([CH2:16][CH2:17][N:18]2[CH2:23][CH2:22][CH:21]([C:24](=[O:32])[C:25]3[CH:26]=[CH:27][C:28]([F:31])=[CH:29][CH:30]=3)[CH2:20][CH2:19]2)[C:10]2[CH:11]=[N:12][CH:13]=[CH:14][CH:15]=2)=[O:8])=[CH:33][CH:34]=1.[CH3:1][NH:2][C:3]1[CH:4]=[CH:5][C:6]([C:7]([N:9]([C:10]2[CH:11]=[N:12][CH:13]=[CH:14][CH:15]=2)[CH2:16][CH2:17][N:18]2[CH2:23][CH2:22][CH:21]([C:24](=[O:32])[C:25]3[CH:30]=[CH:29][C:28]([F:31])=[CH:27][CH:26]=3)[CH2:20][CH2:19]2)=[O:8])=[CH:33][CH:34]=1