Acetonitrile → 1-benzyl-4-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-2-methyl-1,2,4-triazolidine-3,5-dione
Reaction equation
[Br:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH3:1][c:2]1[n:3][o:4][c:5]([CH3:21])[c:6]1[CH2:7][n:8]1[n:9][cH:10][c:11](-[n:13]2[c:14](=[O:20])[nH:15][n:16]([CH3:19])[c:17]2=[O:18])[cH:12]1.[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:37][C:38]#[N:39]>>[CH3:1][c:2]1[n:3][o:4][c:5]([CH3:21])[c:6]1[CH2:7][n:8]1[n:9][cH:10][c:11](-[n:13]2[c:14](=[O:20])[n:15]([CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[n:16]([CH3:19])[c:17]2=[O:18])[cH:12]1Participants
5
Sources & evidence
- ORD record
- ord-d9b534f300544fc4868688da1e8a1e73
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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