HRID1568870

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3825

Ketoprofen

C16H14O3

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID160435

Methanediimine

CH2N2

HCID86623051

未命名化合物

PRODUCTS

生成物

HCID3825

Ketoprofen

C16H14O3

HCID86623051

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7541072ac57f40a58711db22a0ffcba5
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

[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[C:8]([CH:9]([CH3:10])[OH:11])([OH:12])[NH2:13].[CH3:14][CH:15]([C:16]([OH:17])=[O:18])[c:19]1[cH:20][cH:21][cH:22][c:23]([C:25](=[O:26])[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:24]1.[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[CH3:46][N:47]([c:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1)[CH3:54].[Cl:43][CH2:44][Cl:45].[ClH:33].[NH:34]=[C:35]=[NH:36]>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[C:8]([CH:9]([CH3:10])[OH:11])([OH:12])[NH2:13].[CH3:14][CH:15]([C:16](=[O:17])[OH:18])[c:19]1[cH:20][cH:21][cH:22][c:23]([C:25](=[O:26])[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:24]1