3-tert-Butyl-5-isocyanato-1-phenyl-1H-pyrazole → HCID 44132693, compound
Reaction equation
[C:23]([CH3:24])([CH3:25])([CH3:26])[c:27]1[n:28][n:29](-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:30]([N:32]=[C:33]=[O:34])[cH:31]1.[NH2:1][c:2]1[c:3]([F:22])[cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][n:10][c:11]3[c:12]2[n:13][cH:14][c:15]([N:17]([CH3:18])[CH3:19])[n:16]3)[cH:20][cH:21]1>>[NH:1]([c:2]1[c:3]([F:22])[cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][n:10][c:11]3[c:12]2[n:13][cH:14][c:15]([N:17]([CH3:18])[CH3:19])[n:16]3)[cH:20][cH:21]1)[C:33]([NH:32][c:30]1[n:29](-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[n:28][c:27]([C:23]([CH3:24])([CH3:25])[CH3:26])[cH:31]1)=[O:34]Participants
3
Sources & evidence
- ORD record
- ord-728e891c2da24a569557b00077ca64ab
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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