HRID120085

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

HCID8857

Ethyl acetate

C4H8O2

HCID9837

Benzeneacetic acid, 4-fluoro-

C8H7FO2

HCID81531

Diisopropylethylamine

C8H19N

HCID53401287

Methyl 3-(4-formylphenyl)-2-propenoate

C11H10O3

PRODUCTS

生成物

结构：COC(=O)C=Cc1ccc(C=C(C(=O)O)c2ccc(F)cc2)cc1

HCID68408157

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2665a8b31de49f3ba0a685e3dbbbf05
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:26][C:27]([O:28][C:29](=[O:30])[CH3:31])=[O:32].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH:12](=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH:20]=[CH:21][C:22](=[O:23])[O:24][CH3:25])[cH:18][cH:19]1.[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[Cl:43][CH2:44][Cl:45].[ClH:42].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[OH:11])[cH:6][cH:7]1.[OH2:46]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9](=[O:10])[OH:11])=[CH:12][c:14]2[cH:15][cH:16][c:17]([CH:20]=[CH:21][C:22](=[O:23])[O:24][CH3:25])[cH:18][cH:19]2)[cH:6][cH:7]1