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Potassium Cation → 3-{4-Fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]-2-nitrophenoxy}-2-{1-(methoxycarbonyl)-ethoxy}pyridine

HRID 184384
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HRID 184384 반응식
[C:44](=[O:45])([O-:46])[O-:47].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[F:15][c:16]1[c:17]([N+:36](=[O:37])[O-:38])[cH:18][c:19]([F:35])[c:20](-[n:22]2[c:23](=[O:34])[n:24]([CH3:33])[c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][c:27]2=[O:28])[cH:21]1.[K+:48].[K+:49].[OH2:50].[OH:1][c:2]1[c:3]([O:8][CH:9]([CH3:10])[C:11](=[O:12])[O:13][CH3:14])[n:4][cH:5][cH:6][cH:7]1>>[O:1]([c:2]1[c:3]([O:8][CH:9]([CH3:10])[C:11](=[O:12])[O:13][CH3:14])[n:4][cH:5][cH:6][cH:7]1)[c:16]1[c:17]([N+:36](=[O:37])[O-:38])[cH:18][c:19]([F:35])[c:20](-[n:22]2[c:23](=[O:34])[n:24]([CH3:33])[c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][c:27]2=[O:28])[cH:21]1
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참가 물질

7

반응물 6

HCID 813Potassium Cation2회HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 121155092,5-Difluoro-4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]nitrobenzeneHCID 219335243-Hydroxy-2-{1-(methoxycarbonyl)ethoxy}pyridine

생성물 1

HCID 21933563
3-{4-Fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]-2-nitrophenoxy}-2-{1-(methoxycarbonyl)-ethoxy}pyridine

출처 및 근거

ORD 기록
ord-c3372593963f42559e1cd23d30f5615d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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