HRID2533

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID444972

Fumaric acid

C4H4O4

结构：CCOC(=O)Nc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccnc2)cc1

HCID19689863

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Nc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccnc2)cc1.CCOC(=O)Nc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cccnc2)cc1.O=C(O)/C=C/C(=O)O

HCID131720574

未命名化合物

收率 75%

PROCEDURE

实验过程

Using 4-ethoxycarbonylamino-N-{2-[4-(4-fluorobenzoyl)piperidino]ethyl}-N-(3-pyridyl)benzamide (121.9 mg, 0.24 mmol) and fumaric acid (14.0 mg, 0.12 mmol), the procedure of Inventive Example 271 was repeated to obtain 103.8 mg (75.0%) of the title compound in a light yellow amorphous powder form.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-034be36ecab9479fa366c758723e800c
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

[CH2:1]([O:3][C:4]([NH:6][C:7]1[CH:38]=[CH:37][C:10]([C:11]([N:13]([CH2:20][CH2:21][N:22]2[CH2:27][CH2:26][CH:25]([C:28](=[O:36])[C:29]3[CH:34]=[CH:33][C:32]([F:35])=[CH:31][CH:30]=3)[CH2:24][CH2:23]2)[C:14]2[CH:15]=[N:16][CH:17]=[CH:18][CH:19]=2)=[O:12])=[CH:9][CH:8]=1)=[O:5])[CH3:2].[C:39]([OH:46])(=[O:45])/[CH:40]=[CH:41]/[C:42]([OH:44])=[O:43]>>[C:39]([OH:46])(=[O:45])/[CH:40]=[CH:41]/[C:42]([OH:44])=[O:43].[CH2:1]([O:3][C:4]([NH:6][C:7]1[CH:8]=[CH:9][C:10]([C:11]([N:13]([CH2:20][CH2:21][N:22]2[CH2:27][CH2:26][CH:25]([C:28](=[O:36])[C:29]3[CH:30]=[CH:31][C:32]([F:35])=[CH:33][CH:34]=3)[CH2:24][CH2:23]2)[C:14]2[CH:15]=[N:16][CH:17]=[CH:18][CH:19]=2)=[O:12])=[CH:37][CH:38]=1)=[O:5])[CH3:2].[CH2:1]([O:3][C:4]([NH:6][C:7]1[CH:8]=[CH:9][C:10]([C:11]([N:13]([C:14]2[CH:15]=[N:16][CH:17]=[CH:18][CH:19]=2)[CH2:20][CH2:21][N:22]2[CH2:27][CH2:26][CH:25]([C:28](=[O:36])[C:29]3[CH:30]=[CH:31][C:32]([F:35])=[CH:33][CH:34]=3)[CH2:24][CH2:23]2)=[O:12])=[CH:37][CH:38]=1)=[O:5])[CH3:2]