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Ethyl Acetate → 4'-{[4-Butyl-1-(3-{[tert-butyl(dimethyl)silyl]oxy}-2,2-dimethylpropyl)-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl]methyl}biphenyl-2-carbonitrile

HRID 120827
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HRID 120827 반응식
[Br:34][CH2:35][C:36]([CH2:37][O:38][Si:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[CH3:45])([CH3:46])[CH3:47].[C:28](=[O:29])([O-:30])[O-:31].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH3:27])[nH:8][c:9](=[O:26])[c:10]1[CH2:11][c:12]1[cH:13][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.[CH3:48][N:49]([CH3:50])[C:51](=[O:52])[CH3:53].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cs+:32].[Cs+:33]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH3:27])[n:8]([CH2:35][C:36]([CH2:37][O:38][Si:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[CH3:45])([CH3:46])[CH3:47])[c:9](=[O:26])[c:10]1[CH2:11][c:12]1[cH:13][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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참가 물질

7

반응물 6

HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 104967Cesium cation2회HCID 11780954(3-Bromo-2,2-dimethylpropoxy)(tert-butyl)dimethylsilaneHCID 1354012224'-[(4-Butyl-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl]biphenyl-2-carbonitrile

생성물 1

HCID 57460215
4'-{[4-Butyl-1-(3-{[tert-butyl(dimethyl)silyl]oxy}-2,2-dimethylpropyl)-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl]methyl}biphenyl-2-carbonitrile

출처 및 근거

ORD 기록
ord-100620f31f3d426d9681e9628002d407
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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