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

HRID 2324798Notes

Reaction equation

HRID 2324798 reaction equation
[CH3:1][NH:2][S:3](=[O:4])(=[O:5])[CH3:6].[CH3:8][C:9]#[N:10].[F:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[n:19][c:20]([O:31][S:32]([c:33]3[cH:34][cH:35][c:36]([CH3:37])[cH:38][cH:39]3)(=[O:40])=[O:41])[n:21][c:22]([CH:28]([CH3:29])[CH3:30])[c:23]2[C:24](=[O:25])[O:26][CH3:27])[cH:16][cH:17]1.[Na:7].[OH2:42]>>[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[CH3:6])[c:20]1[n:19][c:18](-[c:15]2[cH:14][cH:13][c:12]([F:11])[cH:17][cH:16]2)[c:23]([C:24](=[O:25])[O:26][CH3:27])[c:22]([CH:28]([CH3:29])[CH3:30])[n:21]1

Participants

6

Reactant 5

HCID 962WaterHCID 6342AcetonitrileHCID 97632N-MethylmethanesulfonamideHCID 5360545SodiumHCID 17989602Rosuvastatin Impurity 162

Product 1

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

Sources & evidence

ORD record
ord-2d66400711634cf7b3707b5341d64107
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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