Citric Acid → 3-tert-Butyl-1-ethyl-1H-pyrazole-5-carboxylic acid

HRID 2142673Notes

Reaction equation

HRID 2142673 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]1

Participants

9

Reactant 8

HCID 311Citric AcidHCID 702EthanolHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 312751,4-DioxaneHCID 20607180HCID 20607180, compound

Product 1

HCID 27443733-tert-Butyl-1-ethyl-1H-pyrazole-5-carboxylic acid

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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