HRID662502

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID122563

1-Acetylpiperidin-4-one

C7H11NO2

结构：COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC1CCCCC1N

HCID76682998

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC1CCCCC1NC1CCN(C(C)=O)CC1

HCID76683006

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d5e3c40bf804e68940b09406ef163ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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