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Sodium Ion → 3'-Fluoro-4'-({2-methyl-6-oxo-4-propyl-1-[4-(vinyloxy)phenyl]-1,6-dihydropyrimidin-5-yl}methyl)biphenyl-2-carbonitrile

HRID 678624
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HRID 678624 반응식
[CH3:35][C:36]([O:37][CH:38]=[CH2:39])=[O:40].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[F:1][c:2]1[cH:3][c:4](-[c:27]2[c:28]([C:33]#[N:34])[cH:29][cH:30][cH:31][cH:32]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10]([CH2:24][CH2:25][CH3:26])[n:11][c:12]([CH3:23])[n:13](-[c:16]2[cH:17][cH:18][c:19]([OH:22])[cH:20][cH:21]2)[c:14]1=[O:15].[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46]>>[F:1][c:2]1[cH:3][c:4](-[c:27]2[c:28]([C:33]#[N:34])[cH:29][cH:30][cH:31][cH:32]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10]([CH2:24][CH2:25][CH3:26])[n:11][c:12]([CH3:23])[n:13](-[c:16]2[cH:17][cH:18][c:19]([O:22][CH:35]=[CH2:36])[cH:20][cH:21]2)[c:14]1=[O:15]
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반응물 6

HCID 923Sodium Ion2회HCID 1140TolueneHCID 7904Vinyl AcetateHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 574608023'-Fluoro-4'-{[1-(4-hydroxyphenyl)-2-methyl-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl]methyl}biphenyl-2-carbonitrile

생성물 1

HCID 57460913
3'-Fluoro-4'-({2-methyl-6-oxo-4-propyl-1-[4-(vinyloxy)phenyl]-1,6-dihydropyrimidin-5-yl}methyl)biphenyl-2-carbonitrile

출처 및 근거

ORD 기록
ord-53a1a1f8c9fa4f20808525ced2b598ab
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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