Potassium Cation → 6-(3-Chloro-5-methyl-benzoyl)-1-(2,6-difluoro-pyridin-4-ylmethyl)-5-isopropyl-1H-pyrimidine-2,4-dione

HRID 2155109Notes

Reaction equation

HRID 2155109 reaction equation
[C:44](=[O:45])([O-:46])[O-:47].[CH3:11][CH2:12][N:13]([CH2:14][CH3:15])[CH2:16][CH3:17].[CH3:18][S:19](=[O:20])(=[O:21])[Cl:22].[CH:52]([Cl:53])([Cl:54])[Cl:55].[Cl:23][c:24]1[cH:25][c:26]([C:27](=[O:28])[c:29]2[c:30]([CH:37]([CH3:38])[CH3:39])[c:31](=[O:36])[nH:32][c:33](=[O:35])[nH:34]2)[cH:40][c:41]([CH3:43])[cH:42]1.[F:1][c:2]1[n:3][c:4]([F:10])[cH:5][c:6]([CH2:8][OH:9])[cH:7]1.[I-:50].[K+:48].[K+:49].[Li+:51].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60]>>[F:1][c:2]1[n:3][c:4]([F:10])[cH:5][c:6]([CH2:8][n:34]2[c:29]([C:27]([c:26]3[cH:25][c:24]([Cl:23])[cH:42][c:41]([CH3:43])[cH:40]3)=[O:28])[c:30]([CH:37]([CH3:38])[CH3:39])[c:31](=[O:36])[nH:32][c:33]2=[O:35])[cH:7]1

Participants

11

Reactant 10

HCID 813Potassium Cation2×HCID 6212ChloroformHCID 6228DimethylformamideHCID 8471TriethylamineHCID 19660Carbonate IonHCID 28486Lithium ionHCID 30165Iodide IonHCID 31297Methanesulfonyl chlorideHCID 213032376-(3-Chloro-5-methyl-benzoyl)-5-isopropyl-1H-pyrimidine-2,4-dioneHCID 59184676(2,6-Difluoropyridin-4-yl)methanol

Product 1

HCID 591848676-(3-Chloro-5-methyl-benzoyl)-1-(2,6-difluoro-pyridin-4-ylmethyl)-5-isopropyl-1H-pyrimidine-2,4-dione

Sources & evidence

ORD record
ord-27c9b9b08dc24368810510b59a449b7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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