HRID2149338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID75182

Benzoic acid, 4-phenoxy-

C13H10O3

HCID3595298

未命名化合物

HCID178506988

未命名化合物

PRODUCTS

生成物

HCID2760258

ethyl 3-oxo-3-(4-phenoxyphenyl)propanoate

C17H16O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2372cb76c50a42168263994028707a51
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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