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Ethyl Acetate → 4'-{[2-butyl-5-(3,5-dimethylisoxazol-4-yl)-4-methyl-6-oxopyrimidin-1(6H)-yl]methyl}biphenyl-2-carbonitrile

HRID 955697
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HRID 955697 반응식
[Br:1][c:2]1[c:3]([CH3:28])[n:4][c:5]([CH2:24][CH2:25][CH2:26][CH3:27])[n:6]([CH2:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[c:17]([C:22]#[N:23])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]2)[c:7]1=[O:8].[C:39](=[O:40])([O-:41])[O-:42].[CH2:45]1[O:46][CH2:47][CH2:48][O:49][CH2:50]1.[CH3:29][c:30]1[n:31][o:32][c:33]([CH3:38])[c:34]1[B:35]([OH:36])[OH:37].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cs+:43].[Cs+:44]>>[c:2]1(-[c:34]2[c:30]([CH3:29])[n:31][o:32][c:33]2[CH3:38])[c:3]([CH3:28])[n:4][c:5]([CH2:24][CH2:25][CH2:26][CH3:27])[n:6]([CH2:9][c:10]2[cH:11][cH:12][c:13](-[c:16]3[c:17]([C:22]#[N:23])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]2)[c:7]1=[O:8]
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반응물 6

HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2회HCID 27343463,5-Dimethylisoxazole-4-boronic acidHCID 574600534'-[(5-bromo-2-butyl-4-methyl-6-oxopyrimidin-1(6H)-yl)methyl]biphenyl-2-carbonitrile

생성물 1

HCID 57460103
4'-{[2-butyl-5-(3,5-dimethylisoxazol-4-yl)-4-methyl-6-oxopyrimidin-1(6H)-yl]methyl}biphenyl-2-carbonitrile

출처 및 근거

ORD 기록
ord-a9fc664927cf4ce09901304e61f1797d
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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