HRID122572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8857

Ethyl acetate

C4H8O2

结构：COc1ccccc1C(C)(O)c1cccc(-c2cccc(C(C)(C)C)c2OCc2ccccc2)c1

HCID58238599

未命名化合物

PRODUCTS

生成物

结构：C=C(c1cccc(-c2cccc(C(C)(C)C)c2OCc2ccccc2)c1)c1ccccc1OC

HCID58238576

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7557cb73df4141c7836a22d102049a75
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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