查数据/反应详情

HRID293964

反应详情

EQUATION

反应方程式

HRID 293964 的结构方程式

REACTANTS

反应物

2

结构：FC(F)(F)c1cc(CBr)cc(C(F)(F)F)c1

3,5-Bis(trifluoromethyl)benzyl bromide

C9H5BrF6

结构：CCc1c(Sc2cc(C)cc(C)c2)[nH]c(=O)[nH]c1=O

未命名化合物

PRODUCTS

生成物

1

结构：CCc1c(Sc2cc(C)cc(C)c2)n(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)[nH]c1=O

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7125cc7a14d43db8fef706ef3bb0270
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

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

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