查数据/反应详情

HRID300412

反应详情

EQUATION

反应方程式

HRID 300412 的结构方程式

REACTANTS

反应物

2

结构：CC(C)(C)c1ccc(O)c(C(C)(C)C)c1

2,4-Di-tert-butylphenol

C14H22O

结构：COc1ccc(C(C)O)cc1

1-(4-Methoxyphenyl)ethanol

C9H12O2

PRODUCTS

生成物

1

结构：COc1ccc(C(C)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d937cc8709484a7c8380d09f98253491
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:15])[cH:7][cH:8][c:9]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:10]1.[CH3:16][CH:17]([c:18]1[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]1)[OH:26]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:15])[c:7]([CH:17]([CH3:16])[c:18]2[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]2)[cH:8][c:9]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:10]1

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