HRID684534

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID30165

Iodide ion

I-

HCID70825

3,5-Di-tert-butylphenol

C14H22O

HCID3826051

未命名化合物

HCID20392594

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ccc(Oc2ccc(Cl)cc2)cc1

HCID12531858

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-886567d459de466dbc90d99e5fb71541
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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