HRID670251

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID176

Acetic Acid

C2H4O2

HCID241

Benzene

C6H6

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID7649

Ethyl cinnamate

C11H12O2

HCID8821

Ethyl acrylate

C5H8O2

HCID31261

2,4-Pentanedione

C5H8O2

HCID105144

Palladium(2+)

Pd+2

HCID9881471

ethyl 3,3-diphenylacrylate

C17H16O2

PRODUCTS

生成物

HCID3047722

Ethyl 3-(acetyloxy)-2-propenoate

C7H10O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84feaa5fddd747869d5de04e710cd6fa
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:27]([O:28][CH2:29][CH3:30])(=[O:31])[CH:32]=[CH:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[C:7]([CH:8]=[CH2:9])(=[O:10])[O:11][CH2:12][CH3:13].[CH3:15][C:16]([O-:17])=[O:18].[CH3:19][C:20]([CH2:21][C:22](=[O:23])[CH3:24])=[O:25].[CH3:68][C:69](=[O:70])[OH:71].[Na+:14].[O-:60][C:61]([CH3:62])=[O:63].[O-:64][C:65]([CH3:66])=[O:67].[O:26].[Pd+2:59].[c:40]1([C:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)=[CH:48][C:49]([O:50][CH2:51][CH3:52])=[O:53])[cH:54][cH:55][cH:56][cH:57][cH:58]1.[cH:1]1[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[C:7]([CH:8]=[CH:9][O:18][C:16]([CH3:15])=[O:17])(=[O:10])[O:11][CH2:12][CH3:13]