Ethanol → 2-(2,4-Difluorophenyl)-2-oxoethyl thiocyanate

HRID 674439

Reaction equation

HRID 674439 reaction equation
[Br:1][CH2:2][C:3](=[O:4])[c:5]1[c:6]([F:12])[cH:7][c:8]([F:11])[cH:9][cH:10]1.[CH3:18][CH2:19][OH:20].[K+:13].[OH2:17].[S-:14][C:15]#[N:16]>>[CH2:2]([C:3](=[O:4])[c:5]1[c:6]([F:12])[cH:7][c:8]([F:11])[cH:9][cH:10]1)[S:14][C:15]#[N:16]

Participants

6

Reactant 5

HCID 702EthanolHCID 813Potassium CationHCID 962WaterHCID 9322ThiocyanateHCID 27741852-Bromo-2',4'-difluoroacetophenone

Product 1

HCID 450368272-(2,4-Difluorophenyl)-2-oxoethyl thiocyanate

Sources & evidence

ORD record
ord-68e7d05b863a4c8bba5c9ec0090db3c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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