Dimethylformamide → 3-chloro-N-[1-(3,3-difluoropiperidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N-methylbenzamide

HRID 137005

반응식

HRID 137005 반응식
[B-:12]([F:13])([F:14])([F:15])[F:16].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[F:11].[F:34][C:35]1([F:48])[CH2:36][N:37]([CH2:41][CH:42]([CH:43]([CH3:44])[CH3:45])[NH:46][CH3:47])[CH2:38][CH2:39][CH2:40]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[n:17]1([O:18][C:19]([N:20]([CH3:21])[CH3:22])=[N+:23]([CH3:24])[CH3:25])[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1>>[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[N:46]([CH:42]([CH2:41][N:37]2[CH2:36][C:35]([F:34])([F:48])[CH2:40][CH2:39][CH2:38]2)[CH:43]([CH3:44])[CH3:45])[CH3:47])[cH:8][cH:9][c:10]1[F:11]

참가 물질

6

반응물 5

HCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 5209893-Chloro-4-fluorobenzoic acidHCID 677725411-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine

생성물 1

HCID 677738603-chloro-N-[1-(3,3-difluoropiperidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N-methylbenzamide

출처 및 근거

ORD 기록
ord-164e094ea14f4c5ba9ee9a1341201d78
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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