查数据/反应详情

HRID701746

反应详情

EQUATION

反应方程式

HRID 701746 的结构方程式

REACTANTS

反应物

2

结构：COc1ccc(C(C(F)(F)F)C(F)(F)F)cc1C=O

未命名化合物

结构：COc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1

未命名化合物

PRODUCTS

生成物

1

结构：COc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1C=O

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38df0ea23ea748f7906952f58e62fc8e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[F:19][C:20]([F:21])([F:22])[CH:23]([c:24]1[cH:25][cH:26][c:27]([O:28][CH3:29])[c:30]([CH:31]=[O:32])[cH:33]1)[C:34]([F:35])([F:36])[F:37].[F:1][C:2]([C:3]([F:4])([F:5])[F:6])([C:7]([F:8])([F:9])[F:10])[c:11]1[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]1>>[F:1][C:2]([C:3]([F:4])([F:5])[F:6])([C:7]([F:8])([F:9])[F:10])[c:11]1[cH:12][c:13]([CH:31]=[O:32])[c:14]([O:17][CH3:18])[cH:15][cH:16]1

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