Acetone → Methyl 2-(methylthio)-4-(trifluoromethyl)benzoate

HRID 148535

Reaction equation

HRID 148535 reaction equation
[CH3:1][S-:2].[CH3:22][C:23](=[O:24])[CH3:25].[N+:4]([O-:5])(=[O:6])[c:7]1[c:8]([C:9](=[O:10])[O:11][CH3:12])[cH:13][cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]1.[Na+:3].[OH2:21]>>[CH3:1][S:2][c:7]1[c:8]([C:9](=[O:10])[O:11][CH3:12])[cH:13][cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 923Sodium ionHCID 962WaterHCID 519392MercaptomethanideHCID 11276727Methyl 2-nitro-4-(trifluoromethyl)benzoate

Product 1

HCID 10944828Methyl 2-(methylthio)-4-(trifluoromethyl)benzoate

Sources & evidence

ORD record
ord-e43f859390364c1c8d68f4f683d65f57
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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