HRID1132610

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

HCID19660

Carbonate

CO3-2

HCID14988636

未命名化合物

HCID54533033

4-(3-Chloro-3-oxoprop-1-en-1-yl)-1,2-phenylene diacetate

C13H11ClO5

PRODUCTS

生成物

结构：CC(=O)Oc1ccc(C=CC(=O)Nc2cc(C)c(OCc3ccccc3)c(C)c2)cc1OC(C)=O

HCID53990996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd0c454593264c75b11d8c18357fdd35
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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