HRID679678

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID11647

N-Methylhydroxylamine

CH5NO

HCID19660

Carbonate

CO3-2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID114578

3-(2,5-Dimethoxyphenyl)-2-propenoic acid

C11H12O4

PRODUCTS

生成物

HCID54305054

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed5570d4d8d742d3824dc6da5330c53d
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:46]([O:47][CH2:48][CH3:49])(=[O:50])[CH3:51].[CH3:1][O:2][c:3]1[c:4]([CH:5]=[CH:6][C:7](=[O:8])[OH:9])[cH:10][c:11]([O:14][CH3:15])[cH:12][cH:13]1.[CH3:29][NH:30][OH:31].[CH3:36][C:37](=[O:38])[CH3:39].[CH3:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[Cl:16][C:17]([C:18]([Cl:19])=[O:20])=[O:21].[Cl:33][CH2:34][Cl:35].[ClH:28].[ClH:32].[Na+:22].[Na+:23].[O-:24][C:25](=[O:26])[O-:27].[OH2:52]>>[CH3:1][O:2][c:3]1[c:4]([CH:5]=[CH:6][C:7](=[O:8])[N:30]([CH3:29])[OH:31])[cH:10][c:11]([O:14][CH3:15])[cH:12][cH:13]1