Sodium ion → 2-[2-Chloro-4-fluoro-5-(3-methyl-2,6-dioxo-4-trifluoromethyl-1,2,3,6-tetrahydropyrimidin-1-yl)phenoxy]-2-(methylthio)acetamide

HRID 695079Notes

Reaction equation

HRID 695079 reaction equation
[CH2:35]([CH2:36][O:37][CH3:38])[O:39][CH3:40].[Cl:27][CH:28]([C:29](=[O:30])[NH2:31])[S:32][CH3:33].[Cl:3][c:4]1[c:5]([OH:24])[cH:6][c:7](-[n:11]2[c:12](=[O:23])[n:13]([CH3:22])[c:14]([C:18]([F:19])([F:20])[F:21])[cH:15][c:16]2=[O:17])[c:8]([F:10])[cH:9]1.[H-:1].[I-:26].[Na+:25].[Na+:2].[OH2:34]>>[Cl:3][c:4]1[c:5]([O:24][CH:28]([C:29](=[O:30])[NH2:31])[S:32][CH3:33])[cH:6][c:7](-[n:11]2[c:12](=[O:23])[n:13]([CH3:22])[c:14]([C:18]([F:19])([F:20])[F:21])[cH:15][c:16]2=[O:17])[c:8]([F:10])[cH:9]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 30165Iodide IonHCID 166653HydrideHCID 112677571-methyl-6-trifluoromethyl-3-(4-chloro-2-fluoro-5-hydroxyphenyl)-2,4(1H,3H)-pyrimidinedioneHCID 229383202-Chloro-2-(methylthio)acetamide

Product 1

HCID 210719342-[2-Chloro-4-fluoro-5-(3-methyl-2,6-dioxo-4-trifluoromethyl-1,2,3,6-tetrahydropyrimidin-1-yl)phenoxy]-2-(methylthio)acetamide

Sources & evidence

ORD record
ord-66df9a7a1fb64d12952216100c5361f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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