查数据/反应详情

HRID116059

反应详情

EQUATION

反应方程式

HRID 116059 的结构方程式

REACTANTS

反应物

2

结构：FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Perfluoropentane

C5F12

结构：CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(O)(F)F

未命名化合物

PRODUCTS

生成物

1

结构：CC(F)(F)C(F)(F)C(F)(F)C(O)(F)F

1,1,2,2,3,3,4,4-Octafluoropentan-1-ol

C5H4F8O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39e767dceb7549069a3945539e390d99
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

[F:1][C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([OH:8])([F:9])[F:10])([F:11])[F:12])([F:13])[F:14])([F:15])[F:16])([F:19])[F:20])([F:17])[CH3:18].[F:21][C:22]([C:23]([C:24]([C:25]([C:26]([F:27])([F:28])[F:29])([F:30])[F:31])([F:32])[F:33])([F:34])[F:35])([F:36])[F:37]>>[CH3:3][C:4]([C:5]([C:6]([C:7]([OH:8])([F:9])[F:10])([F:11])[F:12])([F:13])[F:14])([F:15])[F:16]

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