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Water → 3-azido-6-fluoro-1-(2,2,2-trifluoroethyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

HRID 112963
Notes
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Reaction equation

HRID 112963 reaction equation
[C:17](=[O:18])([O-:19])[O-:20].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[Cs+:21].[Cs+:22].[F:23][C:24]([F:25])([F:26])[S:27]([O:28][CH2:29][C:30]([F:31])([F:32])[F:33])(=[O:34])=[O:35].[N:1](=[N+:2]=[N-:3])[CH:4]1[C:5](=[O:16])[NH:6][c:7]2[c:8]([c:11]([F:15])[cH:12][cH:13][cH:14]2)[CH2:9][CH2:10]1.[O:36]=[CH:37][N:38]([CH3:39])[CH3:40].[OH2:41]>>[N:1](=[N+:2]=[N-:3])[CH:4]1[C:5](=[O:16])[N:6]([CH2:29][C:30]([F:31])([F:32])[F:33])[c:7]2[c:8]([c:11]([F:15])[cH:12][cH:13][cH:14]2)[CH2:9][CH2:10]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 803662,2,2-Trifluoroethyl trifluoromethanesulfonateHCID 104967Cesium cation2×HCID 19025667
3-Azido-6-fluoro-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

Product 1

HCID 580635233-azido-6-fluoro-1-(2,2,2-trifluoroethyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

Sources & evidence

ORD record
ord-234ed88b9b324421b15a761e2f85e309
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes