Acetic Acid → 1-[3-Cyano-4-(2-methylbutoxy)phenyl]pyrazole-4-carboxylic acid

HRID 2148932

Reaction equation

HRID 2148932 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5](-[n:15]2[n:16][cH:17][c:18]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:19]2)[cH:6][cH:7][c:8]1[O:9][CH2:10][CH:11]([CH2:12][CH3:13])[CH3:14].[CH3:28][C:29](=[O:30])[OH:31].[CH3:32][CH2:33][OH:34].[Na+:26].[OH-:25].[OH2:27]>>[C:1](#[N:2])[c:3]1[cH:4][c:5](-[n:15]2[n:16][cH:17][c:18]([C:20](=[O:21])[OH:22])[cH:19]2)[cH:6][cH:7][c:8]1[O:9][CH2:10][CH:11]([CH2:12][CH3:13])[CH3:14]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 19366017Ethyl 1-[3-cyano-4-(2-methylbutoxy)phenyl]pyrazole-4-carboxylate

Product 1

HCID 193660191-[3-Cyano-4-(2-methylbutoxy)phenyl]pyrazole-4-carboxylic acid

Sources & evidence

ORD record
ord-532d68e4ce65464bb1177d036815d075
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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