Acetone → 4-Nitro-1-(oxan-2-yl)-1H-pyrazole-3-carbaldehyde
Reaction equation
[CH2:1]([O:2][C:3]([c:4]1[c:5]([CH:6]=[O:7])[n:8][nH:9][cH:10]1)=[O:11])[CH3:12].[CH3:42][C:43](=[O:44])[CH3:45].[CH:29]([c:30]1[c:31]2[c:32]([cH:33][cH:34][c:35]([C:36]#[N:37])[cH:38]2)[nH:39][n:40]1)=[O:41].[N+:13](=[O:14])([O-:15])[c:16]1[c:17]([CH2:27][OH:28])[n:18][n:19]([CH:21]2[O:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[cH:20]1>>[N+:13](=[O:14])([O-:15])[c:16]1[c:17]([CH:27]=[O:28])[n:18][n:19]([CH:21]2[O:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[cH:20]1Participants
5
Sources & evidence
- ORD record
- ord-9447fd118285484f802bbfaea2597aa3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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