Hydrochloric Acid → 3-(4-t-Butylphenyl)-1-(4-cyanophenyl)-4-hydroxycarbonyl-2-methyl-2H-pyrazol-5-one
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12]([CH3:30])[n:13](-[c:22]3[cH:23][cH:24][c:25]([C:28]#[N:29])[cH:26][cH:27]3)[c:14](=[O:21])[c:15]2[C:16](=[O:17])[O:18][CH2:19][CH3:20])[cH:9][cH:10]1.[C:31](=[O:32])([O-:33])[O-:34].[CH3:37][CH2:38][OH:39].[ClH:40].[K+:35].[K+:36].[OH2:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12]([CH3:30])[n:13](-[c:22]3[cH:23][cH:24][c:25]([C:28]#[N:29])[cH:26][cH:27]3)[c:14](=[O:21])[c:15]2[C:16](=[O:17])[OH:18])[cH:9][cH:10]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-00e9b53e368e47c8a894d5380656a298
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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