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Ammonium → 5-{4-Fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]-2-nitrophenoxy}-4-(methoxycarbonyl)methoxypyrimidine

HRID 2127469
Notes
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Reaction equation

HRID 2127469 reaction equation
[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[Cl-:40].[F:16][c:17]1[c:18]([N+:37](=[O:38])[O-:39])[cH:19][c:20]([F:36])[c:21](-[n:23]2[c:24](=[O:35])[n:25]([CH3:34])[c:26]([C:30]([F:31])([F:32])[F:33])[cH:27][c:28]2=[O:29])[cH:22]1.[H-:1].[NH4+:41].[Na+:2].[OH:3][c:4]1[c:5]([O:10][CH2:11][C:12](=[O:13])[O:14][CH3:15])[n:6][cH:7][n:8][cH:9]1>>[O:3]([c:4]1[c:5]([O:10][CH2:11][C:12](=[O:13])[O:14][CH3:15])[n:6][cH:7][n:8][cH:9]1)[c:17]1[c:18]([N+:37](=[O:38])[O-:39])[cH:19][c:20]([F:36])[c:21](-[n:23]2[c:24](=[O:35])[n:25]([CH3:34])[c:26]([C:30]([F:31])([F:32])[F:33])[cH:27][c:28]2=[O:29])[cH:22]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium IonHCID 6228DimethylformamideHCID 166653HydrideHCID 121155092,5-Difluoro-4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]nitrobenzeneHCID 18619216
HCID 18619216, compound

Product 1

HCID 186192355-{4-Fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]-2-nitrophenoxy}-4-(methoxycarbonyl)methoxypyrimidine

Sources & evidence

ORD record
ord-72b1be94f77041b0a516366dafe2f6ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes