Acetone → 1-[3-(2-Methyl-[1,3]dioxolan-2-yl)-benzyl]-4-nitro-1H-pyrazole
Reaction equation
[CH3:35][C:36](=[O:37])[CH3:38].[CH3:3][C:4]1([c:9]2[cH:10][c:11]([CH2:12][O:13][S:14]([CH3:15])(=[O:16])=[O:17])[cH:18][cH:19][cH:20]2)[O:5][CH2:6][CH2:7][O:8]1.[K+:29].[K+:30].[N+:21](=[O:22])([O-:23])[c:24]1[cH:25][n:26][nH:27][cH:28]1.[N:1]#[N:2].[O-:31][C:32]([O-:33])=[O:34]>>[CH3:3][C:4]1([c:9]2[cH:10][c:11]([CH2:12][n:26]3[cH:25][c:24]([N+:21](=[O:22])[O-:23])[cH:28][n:27]3)[cH:18][cH:19][cH:20]2)[O:5][CH2:6][CH2:7][O:8]1Participants
7
Sources & evidence
- ORD record
- ord-677e4b6b4e4343cd8f31564289e0d114
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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