3-tert-Butyl-5-isocyanato-1-phenyl-1H-pyrazole → HCID 44133909, compound
Reaction equation
[C:25]([CH3:26])([CH3:27])([CH3:28])[c:29]1[n:30][n:31](-[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:32]([N:34]=[C:35]=[O:36])[cH:33]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:24])[c:20]([CH3:23])[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:24])[c:20]([CH3:23])[n:21][c:22]23)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12)[C:35]([NH:34][c:32]1[n:31](-[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[n:30][c:29]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:33]1)=[O:36]Participants
3
Sources & evidence
- ORD record
- ord-104a036141a5407dacf9ca608453e4b4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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