HRID1206570

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16757470

未命名化合物

HCID22048919

4-(2,4-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)cc2F)CC(=O)N1

HCID22049452

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d00b6f4bba1c4502b0ce25dc984b9374
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[F:1][c:2]1[c:3]([CH:9]2[C:10]([C:17](=[O:18])[OH:19])=[C:11]([CH3:16])[NH:12][C:13](=[O:15])[CH2:14]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[NH2:20][CH2:21][CH2:22][CH2:23][N:24]1[CH2:25][CH2:26][CH:27]([c:30]2[cH:31][c:32]([NH:36][C:37]([CH:38]([CH3:39])[CH3:40])=[O:41])[cH:33][cH:34][cH:35]2)[CH2:28][CH2:29]1>>[F:1][c:2]1[c:3]([CH:9]2[C:10]([C:17](=[O:19])[NH:20][CH2:21][CH2:22][CH2:23][N:24]3[CH2:25][CH2:26][CH:27]([c:30]4[cH:31][c:32]([NH:36][C:37]([CH:38]([CH3:39])[CH3:40])=[O:41])[cH:33][cH:34][cH:35]4)[CH2:28][CH2:29]3)=[C:11]([CH3:16])[NH:12][C:13](=[O:15])[CH2:14]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1