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

HRID 314500Notes

Reaction equation

HRID 314500 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[c:22]([O:23][CH2:24][C:25](=[O:26])[O:27][CH3:28])[cH:29][c:30]([CH3:33])[cH:31][cH:32]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[c:22]([O:23][CH2:24][C:25](=[O:26])[O:27][CH3:28])[cH:29][c:30]([CH3:33])[cH:31][cH:32]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 53932989Methyl (2-chloromethyl-5-methylphenoxy)acetate

Product 1

HCID 23222970methyl [2-[4-(4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-on-1-yl)-3-fluorophenoxymethyl]-5-methylphenoxy]acetate

Sources & evidence

ORD record
ord-b8450e7aefe1495785390c4bc9469037
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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