Bicarbonate Ion → 6-(1,4-Diazepan-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
Reaction equation
[C:35](=[O:36])([OH:37])[O-:38].[Cl:40][CH2:41][Cl:42].[F:8][C:9]([c:10]1[n:11][n:12][c:13]2[cH:14][cH:15][c:16]([N:19]3[CH2:20][CH2:21][N:22]([C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH2:23][CH2:24][CH2:25]3)[n:17][n:18]12)([F:33])[F:34].[Na+:39].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[F:8][C:9]([c:10]1[n:11][n:12][c:13]2[cH:14][cH:15][c:16]([N:19]3[CH2:20][CH2:21][NH:22][CH2:23][CH2:24][CH2:25]3)[n:17][n:18]12)([F:33])[F:34]Participants
6
Sources & evidence
- ORD record
- ord-aa04d1275eb34df8a8b3b2c9f635a100
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
Loading…