HRID315352

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3033

Diclofenac

C14H11Cl2NO2

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl Acetate

C4H8O2

HCID14284

4-(Dimethylamino)pyridine

C7H10N2

HCID160435

Methanediimine

CH2N2

HCID23149331

未命名化合物

PRODUCTS

产物

HCID3033

Diclofenac

C14H11Cl2NO2

HCID23149331

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-cf2639d0d0cb49338096c5cef157e395
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[C:8]([CH2:9][CH3:10])([OH:11])[NH2:12].[CH3:44][N:45]([c:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1)[CH3:52].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl:41][CH2:42][Cl:43].[ClH:37].[NH:38]=[C:39]=[NH:40].[O:32]=[CH:33][N:34]([CH3:35])[CH3:36].[OH:13][C:14](=[O:15])[CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][c:22]1[NH:23][c:24]1[c:25]([Cl:26])[cH:27][cH:28][cH:29][c:30]1[Cl:31]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[C:8]([CH2:9][CH3:10])([OH:11])[NH2:12].[O:13]=[C:14]([OH:15])[CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][c:22]1[NH:23][c:24]1[c:25]([Cl:26])[cH:27][cH:28][cH:29][c:30]1[Cl:31]