Sodium ion → 3-[7-Oxo-4-(3-trifluoromethyl-phenyl)-[1,4]diazepan-1-yl]-propionaldehyde
Reaction equation
[C:30]([OH:31])([CH3:32])([CH3:33])[CH3:34].[CH2:1]([CH2:2][CH:3]=[CH2:4])[N:5]1[CH2:6][CH2:7][N:8]([c:13]2[cH:14][c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]2)[CH2:9][CH2:10][C:11]1=[O:12].[I+3:24]([O-:25])([O-:26])([O-:27])[O-:28].[Na+:29].[OH2:23]>>[CH2:1]([CH2:2][CH:3]=[O:25])[N:5]1[CH2:6][CH2:7][N:8]([c:13]2[cH:14][c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]2)[CH2:9][CH2:10][C:11]1=[O:12]Participants
6
Sources & evidence
- ORD record
- ord-5259c2a38c31461d9801b49809f1fe9a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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