查数据/反应详情

HRID1554312

反应详情

EQUATION

反应方程式

HRID 1554312 的结构方程式

REACTANTS

反应物

2

结构：O=S(=O)(OCC(F)(F)F)C(F)(F)F

2,2,2-Trifluoroethyl triflate

C3H2F6O3S

结构：CCOC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1

未命名化合物

PRODUCTS

生成物

1

结构：CCOC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)nn1CC(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-55b7a97c6b4a46cabd2a72f196430532
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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

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