HRID303929

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID11568

3-Aminophenol

C6H7NO

HCID19660

Carbonate

CO3-2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID724838

4-tert-Butylcinnamic acid

C13H16O2

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(C=CC(=O)Nc2cccc(O)c2)cc1

HCID68870371

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48697c58d5c24566b3e3b1b5a104b287
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])[c:5]1[cH:6][cH:7][c:8]([CH:9]=[CH:10][C:11](=[O:12])[OH:13])[cH:14][cH:15]1.[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[Cl:16][C:17]([C:18]([Cl:19])=[O:20])=[O:21].[Cl:47][CH2:48][Cl:49].[ClH:36].[K+:30].[K+:31].[NH2:22][c:23]1[cH:24][cH:25][cH:26][c:27]([OH:28])[cH:29]1.[O-:32][C:33]([O-:34])=[O:35].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:9]=[CH:10][C:11](=[O:13])[NH:22][c:23]2[cH:24][cH:25][cH:26][c:27]([OH:28])[cH:29]2)[cH:14][cH:15]1