查数据/反应详情

HRID96750

反应详情

EQUATION

反应方程式

HRID 96750 的结构方程式

REACTANTS

反应物

3

结构：[K+]

Potassium cation

K+

结构：[O]=[Mn](=[O])(=[O])[O-]

Permanganate Ion

MnO4-

结构：C=Cn1ccnc1C(O)(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1

未命名化合物

PRODUCTS

生成物

1

结构：CC(C)(C)c1ccc(C(O)(c2ccc(C(C)(C)C)cc2)c2ncc[nH]2)cc1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-133bdefa3ce942a795b3971cee06fa57
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]([OH:12])([c:13]2[n:14]([CH:18]=[CH2:19])[cH:15][cH:16][n:17]2)[c:20]2[cH:21][cH:22][c:23]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:24][cH:25]2)[cH:9][cH:10]1.[K+:35].[Mn:30]([O-:31])(=[O:32])(=[O:33])=[O:34]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]([OH:12])([c:13]2[nH:14][cH:15][cH:16][n:17]2)[c:20]2[cH:21][cH:22][c:23]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:24][cH:25]2)[cH:9][cH:10]1

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