HRID2534

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID444972

Fumaric acid

C4H4O4

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

HCID19689889

未命名化合物

PRODUCTS

生成物

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

HCID131720575

未命名化合物

收率 56.5%

PROCEDURE

实验过程

Using 4-ureido-N-{2-[4-(4-fluorobenzoyl)piperidino]ethyl}-N-(3-pyridyl)benzamide (174.1 mg, 0.36 mmol) and fumaric acid (20.8 mg, 0.18 mmol), the procedure of Inventive Example 271 was repeated to obtain 111.3 mg (56.3%) of the title compound in a colorless powder form.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13e89f18360245ff8b311352b34982c9
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

[NH:1]([C:5]1[CH:36]=[CH:35][C:8]([C:9]([N:11]([CH2:18][CH2:19][N:20]2[CH2:25][CH2:24][CH:23]([C:26](=[O:34])[C:27]3[CH:32]=[CH:31][C:30]([F:33])=[CH:29][CH:28]=3)[CH2:22][CH2:21]2)[C:12]2[CH:13]=[N:14][CH:15]=[CH:16][CH:17]=2)=[O:10])=[CH:7][CH:6]=1)[C:2]([NH2:4])=[O:3].[C:37]([OH:44])(=[O:43])/[CH:38]=[CH:39]/[C:40]([OH:42])=[O:41]>>[C:37]([OH:44])(=[O:43])/[CH:38]=[CH:39]/[C:40]([OH:42])=[O:41].[NH:1]([C:5]1[CH:6]=[CH:7][C:8]([C:9]([N:11]([CH2:18][CH2:19][N:20]2[CH2:25][CH2:24][CH:23]([C:26](=[O:34])[C:27]3[CH:28]=[CH:29][C:30]([F:33])=[CH:31][CH:32]=3)[CH2:22][CH2:21]2)[C:12]2[CH:13]=[N:14][CH:15]=[CH:16][CH:17]=2)=[O:10])=[CH:35][CH:36]=1)[C:2]([NH2:4])=[O:3].[NH:1]([C:5]1[CH:36]=[CH:35][C:8]([C:9]([N:11]([C:12]2[CH:13]=[N:14][CH:15]=[CH:16][CH:17]=2)[CH2:18][CH2:19][N:20]2[CH2:25][CH2:24][CH:23]([C:26](=[O:34])[C:27]3[CH:32]=[CH:31][C:30]([F:33])=[CH:29][CH:28]=3)[CH2:22][CH2:21]2)=[O:10])=[CH:7][CH:6]=1)[C:2]([NH2:4])=[O:3]