Citric Acid → 3-(Tert-butyl)-1-ethyl-1H-pyrazole-5-carboxylic acid
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7]([CH2:15][CH3:16])[c:8]([C:10](=[O:11])[O:12][CH2:13][CH3:14])[cH:9]1.[CH2:26]([OH:27])[CH3:28].[CH3:29][CH2:30][O:31][C:32]([CH3:33])=[O:34].[Li+:17].[O:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1.[OH-:18].[OH2:19].[OH:35][C:36]([CH2:37][C:38]([C:39](=[O:40])[OH:41])([CH2:42][C:43](=[O:44])[OH:45])[OH:46])=[O:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7]([CH2:15][CH3:16])[c:8]([C:10](=[O:11])[OH:12])[cH:9]1Participants
9
Sources & evidence
- ORD record
- ord-93a0dbccd17c428aa71b213767636c4f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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