查数据/反应详情

HRID160047

反应详情

EQUATION

反应方程式

HRID 160047 的结构方程式

REACTANTS

反应物

2

结构：O=C(O)CCCCCCCCCCBr

11-Bromoundecanoic acid

C11H21BrO2

结构：OCC(F)(F)C(F)C(F)(F)F

1H,1H,3H-Perfluorobutanol

C4H4F6O

PRODUCTS

生成物

1

结构：O=C(CCCCCCCCCCBr)OCC(F)(F)C(F)C(F)(F)F

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73251a31526a4d63a2e338c073a821ff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C:23](=[O:24])[OH:25].[F:1][C:2]([CH2:3][OH:4])([CH:5]([C:6]([F:7])([F:8])[F:9])[F:10])[F:11]>>[F:1][C:2]([CH2:3][O:4][C:23]([CH2:22][CH2:21][CH2:20][CH2:19][CH2:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][Br:12])=[O:24])([CH:5]([C:6]([F:7])([F:8])[F:9])[F:10])[F:11]

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