Hydrochloric Acid → 1-[2,4-dichloro-5-(4-nitrophenoxy)phenyl]-4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one

HRID 2327537Notes

Reaction equation

HRID 2327537 reaction equation
[C:20](=[O:21])([O-:22])[O-:23].[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[Cl:1][c:2]1[c:3](-[n:10]2[n:11][c:12]([CH3:19])[n:13]([CH:16]([F:17])[F:18])[c:14]2=[O:15])[cH:4][c:5]([OH:9])[c:6]([Cl:8])[cH:7]1.[Cl:26][c:27]1[cH:28][cH:29][c:30]([N+:33](=[O:34])[O-:35])[cH:31][cH:32]1.[ClH:36].[K+:24].[K+:25]>>[Cl:1][c:2]1[c:3](-[n:10]2[n:11][c:12]([CH3:19])[n:13]([CH:16]([F:17])[F:18])[c:14]2=[O:15])[cH:4][c:5]([O:9][c:27]2[cH:28][cH:29][c:30]([N+:33](=[O:34])[O-:35])[cH:31][cH:32]2)[c:6]([Cl:8])[cH:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 74741-Chloro-4-nitrobenzeneHCID 19660Carbonate IonHCID 13253747HCID 13253747, compound

Product 1

HCID 199122081-[2,4-dichloro-5-(4-nitrophenoxy)phenyl]-4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one

Sources & evidence

ORD record
ord-7eb3117dd7f9490d9449aeedbb916706
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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