Potassium Cation → methyl 2-[3-[4-(4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-on-1-yl)-3-fluorophenoxymethyl]phenoxy]propionate

HRID 197915Notes

Reaction equation

HRID 197915 reaction equation
[C:34](=[O:35])([O-:36])[O-:37].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[Cl:19][CH2:20][c:21]1[cH:22][c:23]([O:24][CH:25]([C:26](=[O:27])[O:28][CH3:29])[CH3:30])[cH:31][cH:32][cH:33]1.[F:1][c:2]1[c:3](-[n:9]2[n:10][c:11]([CH3:18])[n:12]([CH:15]([F:16])[F:17])[c:13]2=[O:14])[cH:4][cH:5][c:6]([OH:8])[cH:7]1.[K+:38].[K+:39]>>[F:1][c:2]1[c:3](-[n:9]2[n:10][c:11]([CH3:18])[n:12]([CH:15]([F:16])[F:17])[c:13]2=[O:14])[cH:4][cH:5][c:6]([O:8][CH2:20][c:21]2[cH:22][c:23]([O:24][CH:25]([C:26](=[O:27])[O:28][CH3:29])[CH3:30])[cH:31][cH:32][cH:33]2)[cH:7]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 142799031-(2-Fluoro-4-hydroxyphenyl)-3-methyl-4-(difluoromethyl)-1H-1,2,4-triazol-5(4H)-oneHCID 18981053Methyl 2-(3-chloromethylphenoxy)propionate

Product 1

HCID 18981026methyl 2-[3-[4-(4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-on-1-yl)-3-fluorophenoxymethyl]phenoxy]propionate

Sources & evidence

ORD record
ord-2a25fd7e9b0643d3991152fed500756a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…