Potassium Cation → 6-{2-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}-2-benzyloxy-3-nitropyridine

HRID 694836Notes

Reaction equation

HRID 694836 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[Cl:19][c:20]1[c:21]([OH:40])[cH:22][c:23](-[n:27]2[c:28](=[O:39])[n:29]([CH3:38])[c:30]([C:34]([F:35])([F:36])[F:37])[cH:31][c:32]2=[O:33])[c:24]([F:26])[cH:25]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([N+:16](=[O:17])[O-:18])[c:6]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[n:7]1.[K+:45].[K+:46].[OH2:52]>>[c:2]1([O:40][c:21]2[c:20]([Cl:19])[cH:25][c:24]([F:26])[c:23](-[n:27]3[c:28](=[O:39])[n:29]([CH3:38])[c:30]([C:34]([F:35])([F:36])[F:37])[cH:31][c:32]3=[O:33])[cH:22]2)[cH:3][cH:4][c:5]([N+:16](=[O:17])[O-:18])[c:6]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[n:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 112677571-methyl-6-trifluoromethyl-3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2,4(1H,3H)-pyrimidinedioneHCID 225652672-(Benzyloxy)-6-chloro-3-nitropyridine

Product 1

HCID 186191896-{2-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}-2-benzyloxy-3-nitropyridine

Sources & evidence

ORD record
ord-85a622ff3da143b1b0a0c541e8b6f591
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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