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

HRID 2349715Notes

Reaction equation

HRID 2349715 reaction equation
[CH3:34][NH:35][S:36](=[O:37])(=[O:38])[CH3:39].[CH3:41][C:42]#[N:43].[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.[Na:22].[OH2:40].[c:23]1([CH3:24])[cH:25][cH:26][c:27]([S:28]([Cl:29])(=[O:30])=[O:31])[cH:32][cH:33]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([N:35]([CH3:34])[S:36](=[O:37])(=[O:38])[CH3:39])[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

Participants

7

Reactant 6

HCID 962WaterHCID 6342AcetonitrileHCID 73974-Toluenesulfonyl chlorideHCID 97632N-MethylmethanesulfonamideHCID 5360545SodiumHCID 178496923Methyl 6-(4-fluorophenyl)-1,2-dihydro-4-(1-methylethyl)-2-oxo-5-pyrimidinecarboxylate

Product 1

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

Sources & evidence

ORD record
ord-ef726f88a28642a79fea4e0ae85bb83e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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