HRID92013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID527

Propanal

C3H6O

HCID58603439

未命名化合物

PRODUCTS

产物

HCID58603769

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-51c63c7bb2dc4df8bf4bd9694d830759
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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