Tetrahydrofuran → 7-bromo-9-pentyl-3-[3-(4-phenyl-1H-pyrazol-1-yl)propyl]-6,9-dihydro-5H-[1,2,4]triazolo[4,3-a]purin-5-one
Reaction equation
[Br:33][N:34]1[C:35](=[O:36])[CH2:37][CH2:38][C:39]1=[O:40].[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]([CH2:19][CH2:20][CH2:21][n:22]1[n:23][cH:24][c:25](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:26]1)[n:17][n:18]2.[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]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:33])[n:13][c:14]13)[c:16]([CH2:19][CH2:20][CH2:21][n:22]1[n:23][cH:24][c:25](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:26]1)[n:17][n:18]2Participants
4
Sources & evidence
- ORD record
- ord-dd2eba7519024879a8d318d963a350df
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)