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Acetate → ethyl 2-[(trans-4-{6-[(2'-cyano-3-fluorobiphenyl-4-yl)methyl]-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}cyclohexyl)oxy]pent-4-enoate

HRID 109027
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HRID 109027 반응식
[C:55]([O-:56])(=[O:57])[CH3:58].[C:60]([O-:61])(=[O:62])[CH3:63].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[F:1][c:2]1[cH:3][c:4](-[c:29]2[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:28])[n:11]([CH:21]2[CH2:22][CH2:23][CH:24]([OH:27])[CH2:25][CH2:26]2)[c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][cH:19][n:20]2.[N+:37](=[N-:38])=[C:39]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH2:45][CH:46]=[CH2:47].[Rh+2:59]>>[F:1][c:2]1[cH:3][c:4](-[c:29]2[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:28])[n:11]([CH:21]2[CH2:22][CH2:23][CH:24]([O:27][CH:39]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH2:45][CH:46]=[CH2:47])[CH2:25][CH2:26]2)[c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][cH:19][n:20]2
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6

반응물 5

HCID 175Acetate2회HCID 1140TolueneHCID 185497Rhodium, ion(Rh2)HCID 670098603'-Fluoro-4'-{[4-(trans-4-hydroxycyclohexyl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrileHCID 731768604-Pentenoic acid, 2-diazo-, ethyl ester

생성물 1

HCID 67010104
ethyl 2-[(trans-4-{6-[(2'-cyano-3-fluorobiphenyl-4-yl)methyl]-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}cyclohexyl)oxy]pent-4-enoate

출처 및 근거

ORD 기록
ord-e2a0d9bb2f9e4a4e845aaf3d9ef100b1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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