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Dichloromethane → 3,4-difluoro-N-[1-(3-hydroxyazetidin-1-yl)-3-methylpentan-2-yl]-N-methylbenzamide

HRID 92077
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HRID 92077 반응식
[B-:21]([F:22])([F:23])([F:24])[F:25].[CH3:43][CH:44]([CH:45]([CH2:46][N:47]1[CH2:48][CH:49]([OH:51])[CH2:50]1)[NH:52][CH3:53])[CH2:54][CH3:55].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:56][CH2:57][Cl:58].[F:10][c:11]1[cH:12][c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18][c:19]1[F:20].[n:26]1([O:27][C:28]([N:29]([CH3:30])[CH3:31])=[N+:32]([CH3:33])[CH3:34])[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1>>[F:10][c:11]1[cH:12][c:13]([C:14](=[O:16])[N:52]([CH:45]([CH:44]([CH3:43])[CH2:54][CH3:55])[CH2:46][N:47]2[CH2:48][CH:49]([OH:51])[CH2:50]2)[CH3:53])[cH:17][cH:18][c:19]1[F:20]
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7

반응물 6

HCID 6344DichloromethaneHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 991663,4-Difluorobenzoic acidHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 773529831-[3-Methyl-2-(methylamino)pentyl]azetidin-3-ol

생성물 1

HCID 67772576
3,4-difluoro-N-[1-(3-hydroxyazetidin-1-yl)-3-methylpentan-2-yl]-N-methylbenzamide

출처 및 근거

ORD 기록
ord-ca1ad538426b46e880e7135c89fe82d3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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