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Dimethylformamide → 4'-{[4-Butyl-1-(3,3-dimethyl-2-oxobutyl)-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl]methyl}-3'-fluorobiphenyl-2-carbonitrile

HRID 699794
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HRID 699794 반응식
[Br:35][CH2:36][C:37]([C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42].[C:29](=[O:30])([O-:31])[O-:32].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH3:28])[nH:8][c:9](=[O:27])[c:10]1[CH2:11][c:12]1[c:13]([F:26])[cH:14][c:15](-[c:18]2[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:16][cH:17]1.[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cs+:33].[Cs+:34]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH3:28])[n:8]([CH2:36][C:37]([C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42])[c:9](=[O:27])[c:10]1[CH2:11][c:12]1[c:13]([F:26])[cH:14][c:15](-[c:18]2[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:16][cH:17]1
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반응물 6

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 21642BromopinacoloneHCID 104967Cesium cation2회HCID 1360269914'-[(4-Butyl-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl]-3'-fluorobiphenyl-2-carbonitrile

생성물 1

HCID 57460454
4'-{[4-Butyl-1-(3,3-dimethyl-2-oxobutyl)-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl]methyl}-3'-fluorobiphenyl-2-carbonitrile

출처 및 근거

ORD 기록
ord-5c91d7aeb9b4491bba840805fa587d8b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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