HRID2087947

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16757470

未命名化合物

结构：CC1=C(C(=O)O)C(c2ccc(F)c(F)c2)CC(=O)N1

HCID22048670

4-(3,4-Difluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylic acid

C13H11F2NO3

PRODUCTS

生成物

结构：CC1=C(C(=O)NCCCN2CCC(c3cccc(NC(=O)C(C)C)c3)CC2)C(c2ccc(F)c(F)c2)CC(=O)N1

HCID22048709

未命名化合物

PROCEDURE

实验过程

Prepared by Procedure AC and Scheme AM using 4-(3,4-difluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylic acid and N-{3-[1-(3-aminopropyl)-4-piperidinyl]phenyl}-2-methylpropanamide: ESMS m/e: 553.0 (M+H)+.

WORKUP

后处理

customPrepared by Procedure AC and Scheme

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1901a04f32a45a69418f6b678095f34
来源数据集: uspto-grants-2004_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06727264B1
来源说明: uspto-grants-2004_04

反应 SMILES

[F:1][C:2]1[CH:3]=[C:4]([CH:9]2[CH2:14][C:13](=[O:15])[NH:12][C:11]([CH3:16])=[C:10]2[C:17]([OH:19])=O)[CH:5]=[CH:6][C:7]=1[F:8].[NH2:20][CH2:21][CH2:22][CH2:23][N:24]1[CH2:29][CH2:28][CH:27]([C:30]2[CH:31]=[C:32]([NH:36][C:37](=[O:41])[CH:38]([CH3:40])[CH3:39])[CH:33]=[CH:34][CH:35]=2)[CH2:26][CH2:25]1>>[F:1][C:2]1[CH:3]=[C:4]([CH:9]2[CH2:14][C:13](=[O:15])[NH:12][C:11]([CH3:16])=[C:10]2[C:17]([NH:20][CH2:21][CH2:22][CH2:23][N:24]2[CH2:29][CH2:28][CH:27]([C:30]3[CH:35]=[CH:34][CH:33]=[C:32]([NH:36][C:37](=[O:41])[CH:38]([CH3:39])[CH3:40])[CH:31]=3)[CH2:26][CH2:25]2)=[O:19])[CH:5]=[CH:6][C:7]=1[F:8]