Carbon Dioxide → Chloro Fluoro Triazolin-3-one

HRID 116377Notes

Reaction equation

HRID 116377 reaction equation
[C:17](=[O:18])([O-:19])[O-:20].[CH3:30][O:31][CH2:32][CH2:33][O:34][CH2:35][CH2:36][O:37][CH3:38].[Cl:26][CH:27]([F:28])[F:29].[Cl:2][c:3]1[cH:4][c:5]([F:16])[c:6](-[n:9]2[n:10][c:11]([CH3:15])[nH:12][c:13]2=[O:14])[cH:7][cH:8]1.[K+:21].[K+:22].[Na:1].[O:23]=[C:24]=[O:25].[OH2:39]>>[Cl:2][c:3]1[cH:4][c:5]([F:16])[c:6](-[n:9]2[n:10][c:11]([CH3:15])[n:12]([CH:27]([F:28])[F:29])[c:13]2=[O:14])[cH:7][cH:8]1

Participants

9

Reactant 8

HCID 280Carbon DioxideHCID 813Potassium Cation2×HCID 962WaterHCID 6372ChlorodifluoromethaneHCID 8150DiglymeHCID 19660Carbonate IonHCID 5360545SodiumHCID 1355016041-(4-chloro-2-fluorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazole

Product 1

HCID 9882096Chloro Fluoro Triazolin-3-one

Sources & evidence

ORD record
ord-f6c3ea6d6c6d4e4dbbb3e2755ff8b9da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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