Acetic Acid → 3-[(3-Chloropropyl)thio]-4-methyl-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole

Reaction equation

[Br:18][CH2:19][CH2:20][CH2:21][Cl:22].[CH3:1][n:2]1[c:3](=[S:17])[nH:4][n:5][c:6]1-[c:7]1[cH:8][cH:9][c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]1.[CH3:23][C:24](=[O:25])[OH:26].[CH3:27][CH2:28][OH:29]>>[CH3:1][n:2]1[c:3]([S:17][CH2:19][CH2:20][CH2:21][Cl:22])[n:4][n:5][c:6]1-[c:7]1[cH:8][cH:9][c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]1

Participants

Reactant 4

HCID 176Acetic Acid

HCID 702Ethanol

HCID 80061-Bromo-3-chloropropane

HCID 790147774-Methyl-5-(4-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol

Product 1

HCID 591505083-[(3-Chloropropyl)thio]-4-methyl-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole

Sources & evidence

ORD record: ord-f1a9508183ee4dbe8d0fa7bf9a98e047
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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