Bicarbonate Ion → 3-tert-Butyl-5-isocyanato-1-p-tolyl-1H-pyrazole
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:11]2[cH:12][cH:13][c:14]([CH3:17])[cH:15][cH:16]2)[c:8]([NH2:10])[cH:9]1.[CH3:31][CH2:32][CH2:33][CH:34]([CH3:35])[CH3:36].[Cl:37][CH2:38][Cl:39].[Na+:22].[O-:18][C:19]([OH:20])=[O:21].[O:23]=[C:24]([Cl:25])[O:26][C:27]([Cl:28])([Cl:29])[Cl:30]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:11]2[cH:12][cH:13][c:14]([CH3:17])[cH:15][cH:16]2)[c:8]([N:10]=[C:19]=[O:18])[cH:9]1Participants
7
Sources & evidence
- ORD record
- ord-8eb3dbe8a001441b9b5e864fa426dec0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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