Isopropyl Acetate → N-cyclopropyl-6-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide

HRID 108434

반응식

HRID 108434 반응식
[Br:36][c:37]1[n:38][cH:39][c:40]([C:41](=[O:42])[NH:43][CH:44]2[CH2:45][CH2:46]2)[cH:47][cH:48]1.[C:49]([O:50][CH:51]([CH3:52])[CH3:53])(=[O:54])[CH3:55].[OH:1][C:2]([CH2:3][C:4]1([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:5][CH2:6][N:7]([CH:11]([CH3:12])[c:13]2[cH:14][cH:15][c:16]([B:19]3[O:20][C:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27]3)[cH:17][cH:18]2)[C:8](=[O:10])[O:9]1)([CH3:34])[CH3:35]>>[OH:1][C:2]([CH2:3][C:4]1([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:5][CH2:6][N:7]([CH:11]([CH3:12])[c:13]2[cH:14][cH:15][c:16](-[c:37]3[n:38][cH:39][c:40]([C:41](=[O:42])[NH:43][CH:44]4[CH2:45][CH2:46]4)[cH:47][cH:48]3)[cH:17][cH:18]2)[C:8](=[O:10])[O:9]1)([CH3:34])[CH3:35]

참가 물질

4

반응물 3

HCID 7915Isopropyl AcetateHCID 658091726-bromo-N-cyclopropylpyridine-3-carboxamideHCID 670197526-(2-Hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one

생성물 1

HCID 91465791N-cyclopropyl-6-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridine-3-carboxamide

출처 및 근거

ORD 기록
ord-b3206561449042b8b8071cd95a50dfbc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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