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

HRID 1212286Notes

Reaction equation

HRID 1212286 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH2:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[O:30][c:31]1[n:32][c:33]([Cl:37])[n:34][cH:35][cH:36]1.[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[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+:42].[K+:43].[OH2:44]>>[Cl:1][c:2]1[c:3]([O:22][c:33]2[n:32][c:31]([O:30][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:36][cH:35][n:34]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 151332374-(Benzyloxy)-2-chloropyrimidine

Product 1

HCID 186191524-Benzyloxy-2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}pyrimidine

Sources & evidence

ORD record
ord-5ef51326e87645d8955df0462d73f46a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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