Ethanol → 9-ethyl-2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine
Reaction equation
[CH3:26][CH2:27][OH:28].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][c:6]([CH3:25])[n:7][c:8]1-[c:9]1[n:10][c:11]2[n:12]([cH:24]1)[CH2:13][CH2:14][O:15][c:16]1[c:17]-2[cH:18][cH:19][c:20]([CH:22]=[CH2:23])[cH:21]1>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][c:6]([CH3:25])[n:7][c:8]1-[c:9]1[n:10][c:11]2[n:12]([cH:24]1)[CH2:13][CH2:14][O:15][c:16]1[c:17]-2[cH:18][cH:19][c:20]([CH2:22][CH3:23])[cH:21]1Participants
3
Sources & evidence
- ORD record
- ord-efe1cfb8b7a848dcb2551b9a9c110b18
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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