HRID213083

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

4 次

HCID271

Calcium ion

Ca+2

HCID785

Hydroquinone

C6H6O2

HCID887

Methanol

CH4O

HCID9543249

Dibutyltin ion

C8H18Sn+2

HCID10464992

2-Vinylcyclopropane-1,1-dicarboxylic acid dimethyl ester

C9H12O4

HCID12364396

3-Furanmethanol, 5-(phenylmethyl)-

C12H12O2

PRODUCTS

生成物

结构：C=CC1CC1(C(=O)OC)C(=O)OCc1coc(Cc2ccccc2)c1

HCID13137096

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b41b0aba1a9c47c9a957af1cabbe1b88
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:45]([O-:46])(=[O:47])[CH3:48].[C:49]([O-:50])(=[O:51])[CH3:52].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([CH2:13][OH:14])[cH:11][o:12]1.[CH2:53]([Sn+2:54][CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH3:61].[CH3:37][C:38](=[O:39])[O-:40].[CH3:41][C:42](=[O:43])[O-:44].[CH3:62][OH:63].[CH:15](=[CH2:16])[CH:17]1[C:18]([C:20](=[O:21])[O:22][CH3:23])([C:24](=[O:25])[O:26][CH3:27])[CH2:19]1.[Ca+2:36].[OH:28][c:29]1[cH:30][cH:31][c:32]([OH:33])[cH:34][cH:35]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([CH2:13][O:14][C:24]([C:18]2([C:20](=[O:21])[O:22][CH3:23])[CH:17]([CH:15]=[CH2:16])[CH2:19]2)=[O:25])[cH:11][o:12]1