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

HRID 1549740Notes

Reaction equation

HRID 1549740 reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[CH3:23][O:24][c:25]1[cH:26][c:27]([O:35][CH2:36][C:37](=[O:38])[O:39][CH3:40])[n:28][c:29]([S:31]([CH3:32])(=[O:33])=[O:34])[n:30]1.[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[Cl:1][c:2]1[c:3]([NH2:4])[cH:5][c:6](-[n:10]2[c:11](=[O:22])[n:12]([CH3:21])[c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][c:15]2=[O:16])[c:7]([F:9])[cH:8]1.[K+:50].[K+:51].[OH2:52]>>[Cl:1][c:2]1[c:3]([NH:4][c:29]2[n:28][c:27]([O:35][CH2:36][C:37](=[O:38])[O:39][CH3:40])[cH:26][c:25]([O:24][CH3:23])[n:30]2)[cH:5][c:6](-[n:10]2[c:11](=[O:22])[n:12]([CH3:21])[c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][c:15]2=[O:16])[c:7]([F:9])[cH:8]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 186191946-Methoxy-4-(methoxycarbonyl)methoxy-2-methylsulfonylpyrimidineHCID 186192573-(5-amino-4-chloro-2-fluorophenyl)-1-methyl-6-trifluoromethyl-2,4(1H,3H)-pyrimidinedione

Product 1

HCID 186192622-{2-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenylamino}-6-methoxy-4-(methoxycarbonyl)methoxypyrimidine

Sources & evidence

ORD record
ord-e89209f450734834abc6e1128d35ced0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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