HRID142395

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID11791243

Ethyl 2-ethoxy-3-(4-hydroxyphenyl)propanoate

C13H18O4

HCID69796416

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(Cc1ccc(OCC=Cc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)cc1)OCC

HCID178471010

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81298b63d2ee4298849c6c1ac04f8b39
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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