Tetrahydrofuran → 7-bromo-9-pentyl-3-(trifluoromethyl)-6,9-dihydro-5H-[1,2,4]triazolo[4,3-a]purin-5-one
Reaction equation
[Br:23][N:24]1[C:25](=[O:26])[CH2:27][CH2:28][C:29]1=[O:30].[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[n:6]1[c:7]2[n:8]([c:9](=[O:15])[c:10]3[nH:11][cH:12][n:13][c:14]13)[c:16]([C:19]([F:20])([F:21])[F:22])[n:17][n:18]2.[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[n:6]1[c:7]2[n:8]([c:9](=[O:15])[c:10]3[nH:11][c:12]([Br:23])[n:13][c:14]13)[c:16]([C:19]([F:20])([F:21])[F:22])[n:17][n:18]2Participants
4
Sources & evidence
- ORD record
- ord-48fe551856054bd3a13e0c1b77cd1def
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…