Hydrochloric Acid → 2-(2,4-difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)propan-2-ol

Reaction equation

[CH3:27][N:28]([CH3:29])[CH:30]=[O:31].[ClH:26].[F:1][c:2]1[c:3]([C:9]2([CH2:12][n:13]3[n:14][cH:15][n:16][cH:17]3)[O:10][CH2:11]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[H-:24].[Na+:25].[SH:18][CH2:19][CH2:20][C:21]([OH:22])=[O:23]>>[F:1][c:2]1[c:3]([C:9]([OH:10])([CH2:11][SH:18])[CH2:12][n:13]2[n:14][cH:15][n:16][cH:17]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

Reactant 6

HCID 313Hydrochloric Acid

HCID 923Sodium Ion

HCID 6228Dimethylformamide

HCID 65143-Mercaptopropionic Acid

HCID 166653Hydride

HCID 101309211-(2-(2,4-Difluorophenyl)-2,3-epoxypropyl)-1H-1,2,4-triazole

Product 1

HCID 200795622-(2,4-difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)propan-2-ol

Sources & evidence

ORD record: ord-2e7592532e414a3e99a3c122c15506bd
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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