Benzene → 3-(1-Hydroxy-2,2,2-trichloroethylmercapto)-4-n-butyl-1,2,4-triazole

Reaction equation

[O:11]=[CH:12][C:13]([Cl:14])([Cl:15])[Cl:16].[SH:1][c:2]1[n:3][n:4][cH:5][n:6]1[CH2:7][CH2:8][CH2:9][CH3:10].[cH:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[S:1]([c:2]1[n:3][n:4][cH:5][n:6]1[CH2:7][CH2:8][CH2:9][CH3:10])[CH:12]([OH:11])[C:13]([Cl:14])([Cl:15])[Cl:16]

Participants

Reactant 3

HCID 241Benzene

HCID 6407Chloral

HCID 178448642HCID 178448642, compound

Product 1

HCID 128884503-(1-Hydroxy-2,2,2-trichloroethylmercapto)-4-n-butyl-1,2,4-triazole

Sources & evidence

ORD record: ord-b0e0b755300345e5b114667757a7f93a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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