查数据/反应详情

HRID1214942

反应详情

EQUATION

反应方程式

HRID 1214942 的结构方程式

REACTANTS

反应物

2

结构：FC(F)(F)c1cc(S)cc(C(F)(F)F)c1

3,5-Bis(trifluoromethyl)benzenethiol

C8H4F6S

结构：CC(=O)OC1CSC(Br)C(OC(C)=O)C1OC(C)=O

未命名化合物

PRODUCTS

生成物

1

结构：CC(=O)OC1CSC(Sc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(OC(C)=O)C1OC(C)=O

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-833a2d42eed24804b9f41d963f9ecbbd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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

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