HRID2142634

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID75218

2,2-Dimethyl-5-(1-methylethylidene)-1,3-dioxane-4,6-dione

C9H12O4

结构：COc1cccc(-c2ccc(COc3cccc(CCC(=O)O)c3)cc2C)c1

HCID25261298

Benzenepropanoic acid, 3-[(3′-methoxy-2-methyl[1,1′-biphenyl]-4-yl)methoxy]-

C24H24O4

HCID178490747

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(C(C)(C)C2C(=O)OC(C)(C)OC2=O)c1

HCID57707254

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-174606bb488f416d9e74846a3a28375e
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

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