Acetonitrile → 8-Bromo-6-pentyl-6,9-dihydro-5H-tetrazolo[5,1-i]purin-5-one
Reaction equation
[Br:19][N:20]1[C:21](=[O:22])[CH2:23][CH2:24][C:25]1=[O:26].[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[n:6]1[c:7](=[O:18])[n:8]2[c:9]([c:10]3[nH:11][cH:12][n:13][c:14]13)[n:15][n:16][n:17]2.[CH3:27][C:28]#[N:29]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[n:6]1[c:7](=[O:18])[n:8]2[c:9]([c:10]3[nH:11][c:12]([Br:19])[n:13][c:14]13)[n:15][n:16][n:17]2Participants
4
Sources & evidence
- ORD record
- ord-d4c4bcdbd3244a998bcaa6e1fc3a6add
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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