HRID678086

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID22770

3,4-Dimethoxyaniline

C8H11NO2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID724838

4-tert-Butylcinnamic acid

C13H16O2

PRODUCTS

生成物

结构：COc1ccc(NC(=O)C=Cc2ccc(C(C)(C)C)cc2)cc1OC

HCID68872402

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c87d62077d9488d946f8983072077ea
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: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.[C:33](=[O:34])([O-:35])[O-:36].[CH3:22][O:23][c:24]1[cH:25][c:26]([NH2:27])[cH:28][cH:29][c:30]1[O:31][CH3:32].[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[CH3:45][C:46](=[O:47])[CH3:48].[Cl:16][C:17]([C:18]([Cl:19])=[O:20])=[O:21].[Cl:55][CH2:56][Cl:57].[K+:37].[K+:38].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH2:49]>>[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:27][c:26]2[cH:25][c:24]([O:23][CH3:22])[c:30]([O:31][CH3:32])[cH:29][cH:28]2)[cH:14][cH:15]1