HRID664321

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID19660

Carbonate Ion

CO3-2

HCID36652

Methylaminoacetonitrile

C3H6N2

HCID54107296

N-[4-(chloromethyl)phenyl]-3-[3-(4-methylphenyl)phenyl]prop-2-enamide

C23H20ClNO

PRODUCTS

产物

HCID53993871

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b49daf8e2f6c4ee794ce5b6f4b78b1a5
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:33](=[O:34])([O-:35])[O-:36].[CH3:28][NH:29][CH2:30][C:31]#[N:32].[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:9][C:10]([CH:11]=[CH:12][c:13]2[cH:14][c:15](-[c:19]3[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]3)[cH:16][cH:17][cH:18]2)=[O:26])[cH:7][cH:8]1.[ClH:27].[K+:37].[K+:38].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:39]>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([NH:9][C:10]([CH:11]=[CH:12][c:13]2[cH:14][c:15](-[c:19]3[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]3)[cH:16][cH:17][cH:18]2)=[O:26])[cH:7][cH:8]1)[N:29]([CH3:28])[CH2:30][C:31]#[N:32]