Ethanol → 1-[5-(4-aminophenoxy)-4-chloro-2-fluorophenyl]-4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one

HRID 677769Notes

Reaction equation

HRID 677769 reaction equation
[CH3:29][CH2:30][OH:31].[Cl:1][c:2]1[cH:3][c:4]([F:28])[c:5](-[n:18]2[n:19][c:20]([CH3:27])[n:21]([CH:24]([F:25])[F:26])[c:22]2=[O:23])[cH:6][c:7]1[O:8][c:9]1[cH:10][cH:11][c:12]([N+:15]([O-:16])=[O:17])[cH:13][cH:14]1.[Pt:32]=[O:33]>>[Cl:1][c:2]1[cH:3][c:4]([F:28])[c:5](-[n:18]2[n:19][c:20]([CH3:27])[n:21]([CH:24]([F:25])[F:26])[c:22]2=[O:23])[cH:6][c:7]1[O:8][c:9]1[cH:10][cH:11][c:12]([NH2:15])[cH:13][cH:14]1

Participants

4

Reactant 3

HCID 702EthanolHCID 82844Platinum oxide (PtO)HCID 199122141-[2-Fluoro-4-chloro-5-(4-nitrophenoxy)phenyl]-3-methyl-4-(difluoromethyl)-1H-1,2,4-triazol-5(4H)-one

Product 1

HCID 199122101-[5-(4-aminophenoxy)-4-chloro-2-fluorophenyl]-4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one

Sources & evidence

ORD record
ord-3a0deb2e68134eaebb3bbd30fcbf2291
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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