查数据/反应详情

HRID311225

反应详情

EQUATION

反应方程式

HRID 311225 的结构方程式

REACTANTS

反应物

3

结构：[Br-]

Bromide

Br-

结构：CC(=O)CC(C)C

4-Methyl-2-pentanone

C6H12O

结构：CCN(CC)[P+](OC(c1ccc(OC)cc1)C(F)(F)F)(N(CC)CC)N(CC)CC

未命名化合物

PRODUCTS

生成物

1

结构：COc1ccc(C(Br)C(F)(F)F)cc1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-983799a8e1cb4fb1914159df36a9af3a
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

[Br-:1].[CH2:32]([C:33]([CH3:34])=[O:35])[CH:36]([CH3:37])[CH3:38].[CH3:2][O:3][c:4]1[cH:5][cH:6][c:7]([CH:10]([C:11]([F:12])([F:13])[F:14])[O:15][P+:16]([N:17]([CH2:18][CH3:19])[CH2:20][CH3:21])([N:22]([CH2:23][CH3:24])[CH2:25][CH3:26])[N:27]([CH2:28][CH3:29])[CH2:30][CH3:31])[cH:8][cH:9]1>>[Br:1][CH:10]([c:7]1[cH:6][cH:5][c:4]([O:3][CH3:2])[cH:9][cH:8]1)[C:11]([F:12])([F:13])[F:14]

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