Trifluoroacetic acid → Methyl 2-mercapto-5-trifluoromethylbenzoate

HRID 698644Notes

Reaction equation

HRID 698644 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][S:8][c:9]2[c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[cH:23][cH:24]1.[CH3:25][O:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[OH:33][C:34]([C:35]([F:36])([F:37])[F:38])=[O:39]>>[SH:8][c:9]1[c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]1

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 7519AnisoleHCID 20205034Methyl 2-(p-methoxybenzylthio)-5-trifluoromethylbenzoate

Product 1

HCID 13787739Methyl 2-mercapto-5-trifluoromethylbenzoate

Sources & evidence

ORD record
ord-f43349a5f552444b882241f6dabfa970
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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