Acetone → 3-(4-Fluoro-phenyl)-2,6-diisopropyl-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
Reaction equation
[CH3:21][C:22]([CH3:23])=[O:24].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9]([CH:18]([CH3:19])[CH3:20])[n:10][c:11]3[c:17]2[CH2:16][CH2:15][NH:14][CH2:13][CH2:12]3)[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9]([CH:18]([CH3:19])[CH3:20])[n:10][c:11]3[c:17]2[CH2:16][CH2:15][N:14]([CH:22]([CH3:21])[CH3:23])[CH2:13][CH2:12]3)[cH:6][cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-3ec7dc3452ad4283aefd59d9b1a047db
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…