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

HRID 162638Notes

Reaction equation

HRID 162638 reaction equation
[C:19](=[O:20])([O-:21])[O-:22].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[Cl:25][CH2:26][c:27]1[c:28]([O:29][CH:30]([C:31](=[O:32])[O:33][CH3:34])[CH3:35])[cH:36][c:37]([CH3:40])[cH:38][cH:39]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+:23].[K+:24]>>[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][CH2:26][c:27]2[c:28]([O:29][CH:30]([C:31](=[O:32])[O:33][CH3:34])[CH3:35])[cH:36][c:37]([CH3:40])[cH:38][cH:39]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 15765398Methyl 2-(2-chloromethyl-5-methylphenoxy)propionate

Product 1

HCID 22904744Methyl 2-[2-[4-(4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-on-1-yl)-3-fluorophenoxymethyl]-5-methylphen oxy]propionate

Sources & evidence

ORD record
ord-d37cda6783d544c18682554e16300446
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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