HRID1575167

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID177

Acetaldehyde

C2H4O

HCID887

Methanol

CH4O

反应SMILES：NCc1ccc(-c2c[nH]nc2-c2c[nH]c(C(=O)NC(CO)c3ccc(F)c(Cl)c3)c2)cc1Cl

HCID178509601

未命名化合物

PRODUCTS

产物

反应SMILES：CCNCc1ccc(-c2c[nH]nc2-c2c[nH]c(C(=O)NC(CO)c3ccc(F)c(Cl)c3)c2)cc1Cl

HCID178463674

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-299fd1d464db43de9a77f5c5114411bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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