Sodium ion → 2-(2-Benzyloxyphenoxy)-5-fluoro-4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]-nitrobenzene

HRID 684835Notes

Reaction equation

HRID 684835 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([OH:15])[cH:11][cH:12][cH:13][cH:14]1.[CH3:16][N:17]([CH3:18])[CH:19]=[O:20].[F:23][c:24]1[c:25]([N+:44](=[O:45])[O-:46])[cH:26][c:27]([F:43])[c:28](-[n:30]2[c:31](=[O:42])[n:32]([CH3:41])[c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][c:35]2=[O:36])[cH:29]1.[H-:21].[Na+:22].[OH2:47]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:15][c:24]2[c:25]([N+:44](=[O:45])[O-:46])[cH:26][c:27]([F:43])[c:28](-[n:30]3[c:31](=[O:42])[n:32]([CH3:41])[c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][c:35]3=[O:36])[cH:29]2)[cH:11][cH:12][cH:13][cH:14]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 804592-BenzyloxyphenolHCID 166653HydrideHCID 121155092,5-Difluoro-4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]nitrobenzene

Product 1

HCID 219335432-(2-Benzyloxyphenoxy)-5-fluoro-4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]-nitrobenzene

Sources & evidence

ORD record
ord-a0fe30f467f04b8395ac2d20c7225ca5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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