Potassium Cation → methyl 2-[2-[4-[1,4-dihydro-4-(3-fluoropropyl)-5H-tetrazol-5-on-1-yl]-3-fluorophenoxymethyl]-5-methylphenoxy]propionate

HRID 2332706Notes

Reaction equation

HRID 2332706 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[Cl:19][CH2:20][c:21]1[c:22]([O:23][CH:24]([C:25](=[O:26])[O:27][CH3:28])[CH3:29])[cH:30][c:31]([CH3:34])[cH:32][cH:33]1.[F:1][c:2]1[c:3](-[n:9]2[n:10][n:11][n:12]([CH2:15][CH2:16][CH2:17][F:18])[c:13]2=[O:14])[cH:4][cH:5][c:6]([OH:8])[cH:7]1.[K+:39].[K+:40]>>[F:1][c:2]1[c:3](-[n:9]2[n:10][n:11][n:12]([CH2:15][CH2:16][CH2:17][F:18])[c:13]2=[O:14])[cH:4][cH:5][c:6]([O:8][CH2:20][c:21]2[c:22]([O:23][CH:24]([C:25](=[O:26])[O:27][CH3:28])[CH3:29])[cH:30][c:31]([CH3:34])[cH:32][cH:33]2)[cH:7]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 15765398Methyl 2-(2-chloromethyl-5-methylphenoxy)propionateHCID 189810471-(2-fluoro-4-hydroxyphenyl)-1,4-dihydro-4-(3-fluoropropyl)-5H-tetrazol-5-one

Product 1

HCID 18981025methyl 2-[2-[4-[1,4-dihydro-4-(3-fluoropropyl)-5H-tetrazol-5-on-1-yl]-3-fluorophenoxymethyl]-5-methylphenoxy]propionate

Sources & evidence

ORD record
ord-2d2a99840f4e40eab311e65cb96fb363
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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