Potassium Cation → Methyl 2-([2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenylthio}pyrimidin-4-yl]oxy}propionate

HRID 671198Notes

Reaction equation

HRID 671198 reaction equation
[C:23](=[O:24])([O-:25])[O-:26].[CH3:44][C:45]#[N:46].[Cl:1][c:2]1[c:3]([SH: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.[Cl:29][c:30]1[n:31][cH:32][cH:33][c:34]([O:36][CH:37]([CH3:38])[C:39](=[O:40])[O:41][CH3:42])[n:35]1.[K+:27].[K+:28].[OH2:43]>>[Cl:1][c:2]1[c:3]([S:22][c:30]2[n:31][cH:32][cH:33][c:34]([O:36][CH:37]([CH3:38])[C:39](=[O:40])[O:41][CH3:42])[n:35]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 6342AcetonitrileHCID 19660Carbonate IonHCID 120567412-Chloro-4-[1-(methoxycarbonyl)ethoxy]pyrimidineHCID 186192703-(4-Chloro-2-fluoro-5-sulfanylphenyl)-1-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

Product 1

HCID 18619236Methyl 2-([2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenylthio}pyrimidin-4-yl]oxy}propionate

Sources & evidence

ORD record
ord-688509c8e9de43c4bb907b6a38feafc6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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