3-tert-Butyl-5-isocyanato-1-phenyl-1H-pyrazole → HCID 44133908, compound
Reaction equation
[C:24]([CH3:25])([CH3:26])([CH3:27])[c:28]1[n:29][n:30](-[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:31]([N:33]=[C:34]=[O:35])[cH:32]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:12][c:13]2[cH:14][cH:15][n:16][c:17]3[nH:18][c:19](=[O:23])[cH:20][n:21][c:22]23)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:12][c:13]2[cH:14][cH:15][n:16][c:17]3[nH:18][c:19](=[O:23])[cH:20][n:21][c:22]23)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12)[C:34]([NH:33][c:31]1[n:30](-[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[n:29][c:28]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:32]1)=[O:35]Participants
3
Sources & evidence
- ORD record
- ord-1ebe02ab62864f22b16d4d11b74f1e8c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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