Acetic Acid → 9-Fluoro-5-oxo-2,3,4,5-tetrahydrobenzo[e][1,4]diazepine-1-carboxylic acid tert-butyl ester
Reaction equation
[C:36].[CH2:1]([O:2][C:3](=[O:5])[NH:11][CH2:12][CH2:13][N:14]([c:15]1[c:16]([C:17]([OH:4])=[O:18])[cH:20][cH:21][cH:22][c:23]1[F:24])[C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:19]1.[CH3:32][C:33](=[O:34])[OH:35].[CH3:38][OH:39].[Pd:37]>>[NH:11]1[CH2:12][CH2:13][N:14]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[c:15]2[c:16]([cH:20][cH:21][cH:22][c:23]2[F:24])[C:17]1=[O:18]Participants
6
Sources & evidence
- ORD record
- ord-ba5cf9affda74b6da18f8543f5ccbe81
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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