Sodium ion → 3-[4-Chloro-5-(2-diethoxyphosphorylethenyl)-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

HRID 2147974Notes

Reaction equation

HRID 2147974 reaction equation
[CH2:3]([P:4]([O:5][CH2:6][CH3:7])(=[O:8])[O:9][CH2:10][CH3:11])[P:12]([O:13][CH2:14][CH3:15])(=[O:16])[O:17][CH2:18][CH3:19].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Cl:20][c:21]1[c:22]([CH:23]=[O:24])[cH:25][c:26](-[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])[c:27]([F:29])[cH:28]1.[H-:1].[Na+:2].[OH2:43]>>[CH:3]([P:12]([O:13][CH2:14][CH3:15])(=[O:16])[O:17][CH2:18][CH3:19])=[CH:23][c:22]1[c:21]([Cl:20])[cH:28][c:27]([F:29])[c:26](-[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:25]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 15455Tetraethyl methylenediphosphonateHCID 166653HydrideHCID 212012522-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzaldehyde

Product 1

HCID 881033853-[4-Chloro-5-(2-diethoxyphosphorylethenyl)-2-fluorophenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

Sources & evidence

ORD record
ord-06daaff3480c4e9c8721b86569908a15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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