HRID206204

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21957249

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：CC(=O)Nc1cccc(C2CCN(CCCNC(=O)C3=C(C)NC(=O)CC3c3ccc(F)c(F)c3)CC2)c1

HCID22725360

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c63d6175293a42d1b37cacc90ae271e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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