Acetone → Methyl 4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinecarboxylate

HRID 186837

Reaktionsgleichung

Reaktionsgleichung von HRID 186837
[C:22](=[O:23])([O-:24])[O-:25].[CH3:39][NH:40][S:41](=[O:42])(=[O:43])[CH3:44].[CH3:45][C:46](=[O:47])[CH3:48].[CH3:50][CH2:51][CH2:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([OH:21])[n:11][c:12]([CH:18]([CH3:19])[CH3:20])[c:13]2[C:14](=[O:15])[O:16][CH3:17])[cH:6][cH:7]1.[K+:26].[K+:27].[OH2:49].[c:28]1([CH3:29])[cH:30][cH:31][c:32]([S:33]([Cl:34])(=[O:35])=[O:36])[cH:37][cH:38]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([N:40]([CH3:39])[S:41](=[O:42])(=[O:43])[CH3:44])[n:11][c:12]([CH:18]([CH3:19])[CH3:20])[c:13]2[C:14](=[O:15])[O:16][CH3:17])[cH:6][cH:7]1

Komponenten

9

Edukt 8

HCID 180AcetoneHCID 813Potassium Cation2×HCID 962WaterHCID 73974-Toluenesulfonyl chlorideHCID 19660Carbonate IonHCID 31272Butyl AcetateHCID 97632N-MethylmethanesulfonamideHCID 178496923Methyl 6-(4-fluorophenyl)-1,2-dihydro-4-(1-methylethyl)-2-oxo-5-pyrimidinecarboxylate

Produkt 1

HCID 9929821Methyl 4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinecarboxylate

Quellen und Nachweise

ORD-Eintrag
ord-aebfe5bd54ee4e73919ffd78e8054666
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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