Acetonitrile → 1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)urea
Reaction equation
[CH2:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[N:22]=[C:23]=[O:24].[CH3:1][c:2]1[n:3][o:4][c:5]([CH3:14])[c:6]1[CH2:7][n:8]1[n:9][cH:10][c:11]([NH2:13])[cH:12]1.[CH3:25][C:26]#[N:27]>>[CH3:1][c:2]1[n:3][o:4][c:5]([CH3:14])[c:6]1[CH2:7][n:8]1[n:9][cH:10][c:11]([NH:13][C:23]([NH:22][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)=[O:24])[cH:12]1Participants
4
Sources & evidence
- ORD record
- ord-a282b2a6ce464dd9b19b7c1dea6e3818
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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