Potassium Cation → 2-{2-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}-6-methoxy-4-{1-(methoxycarbonyl)ethoxy}pyrimidine

HRID 2330173Notes

Reaction equation

HRID 2330173 reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[CH3:23][O:24][c:25]1[cH:26][c:27]([O:35][CH:36]([CH3:37])[C:38](=[O:39])[O:40][CH3:41])[n:28][c:29]([S:31]([CH3:32])(=[O:33])=[O:34])[n:30]1.[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[Cl:1][c:2]1[c:3]([OH:22])[cH:4][c:5](-[n:9]2[c:10](=[O:21])[n:11]([CH3:20])[c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][c:14]2=[O:15])[c:6]([F:8])[cH:7]1.[K+:51].[K+:52].[OH2:53]>>[Cl:1][c:2]1[c:3]([O:22][c:29]2[n:28][c:27]([O:35][CH:36]([CH3:37])[C:38](=[O:39])[O:40][CH3:41])[cH:26][c:25]([O:24][CH3:23])[n:30]2)[cH:4][c:5](-[n:9]2[c:10](=[O:21])[n:11]([CH3:20])[c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][c:14]2=[O:15])[c:6]([F:8])[cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 112677571-methyl-6-trifluoromethyl-3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2,4(1H,3H)-pyrimidinedioneHCID 18619242HCID 18619242, compound

Product 1

HCID 186191792-{2-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}-6-methoxy-4-{1-(methoxycarbonyl)ethoxy}pyrimidine

Sources & evidence

ORD record
ord-67711246d0a445b68eefb6cb658c321a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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