查数据/反应详情

HRID105210

反应详情

EQUATION

反应方程式

HRID 105210 的结构方程式

REACTANTS

反应物

2

结构：Nc1cccc(OC(F)(F)F)c1

3-(Trifluoromethoxy)aniline

C7H6F3NO

结构：FC(F)(F)C1CO1

2-(Trifluoromethyl)oxirane

C3H3F3O

PRODUCTS

生成物

1

结构：OC(CNc1cccc(OC(F)(F)F)c1)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-3d61a5d7e69d438ba984cd3b49089356
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[F:13][C:14]([CH:15]1[CH2:16][O:17]1)([F:18])[F:19].[F:1][C:2]([O:3][c:4]1[cH:5][c:6]([NH2:7])[cH:8][cH:9][cH:10]1)([F:11])[F:12]>>[F:1][C:2]([O:3][c:4]1[cH:5][c:6]([NH:7][CH2:16][CH:15]([C:14]([F:13])([F:18])[F:19])[OH:17])[cH:8][cH:9][cH:10]1)([F:11])[F:12]

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