查数据/反应详情

HRID157623

反应详情

EQUATION

反应方程式

HRID 157623 的结构方程式

REACTANTS

反应物

2

结构：CCCCCCCCO

1-Octanol

C8H18O

结构：Fc1ccc(Br)cc1C(F)(F)F

5-Bromo-2-fluorobenzotrifluoride

C7H3BrF4

PRODUCTS

生成物

1

结构：CCCCCCCCOc1ccc(Br)cc1C(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-7511bb66fee24d33bba9854fc1cd2447
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:1][c:2]1[cH:3][c:4]([C:9]([F:10])([F:11])[F:12])[c:5]([F:8])[cH:6][cH:7]1.[CH2:13]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[OH:21]>>[Br:1][c:2]1[cH:3][c:4]([C:9]([F:10])([F:11])[F:12])[c:5]([O:21][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[cH:6][cH:7]1

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