HRID1574938

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

结构：COC(=O)c1ccccc1-c1ccc(C(=C2CC(C)(C)CC(C)(C)C2)c2ccc(O)cc2)cc1

HCID68654495

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CC(=C(c2ccc(O)cc2)c2ccc(-c3ccccc3CO)cc2)CC(C)(C)C1

HCID57757223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e250e07565f40f785b796bca9fb691f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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