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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
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인쇄 미리보기

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HRID 2127469 반응식
[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
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 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 18619216HCID 18619216, 화합물

생성물

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

출처 및 근거

ORD 기록
ord-72b1be94f77041b0a516366dafe2f6ed
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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