Sodium ion → 2-(4-Fluorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol
Reaction equation
[CH3:25][N:26]([CH3:27])[CH:28]=[O:29].[F:8][c:9]1[cH:10][cH:11][c:12]([C:15]2([CH2:19][n:20]3[n:21][cH:22][n:23][cH:24]3)[O:16][CH:17]2[CH3:18])[cH:13][cH:14]1.[H-:6].[Na+:7].[nH:1]1[n:2][n:3][cH:4][cH:5]1>>[n:1]1[n:2]([CH:17]([C:15]([c:12]2[cH:11][cH:10][c:9]([F:8])[cH:14][cH:13]2)([OH:16])[CH2:19][n:20]2[n:21][cH:22][n:23][cH:24]2)[CH3:18])[n:3][cH:4][cH:5]1Participants
6
Sources & evidence
- ORD record
- ord-563eea5590ac409a8dafe1dbadadb30c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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