Acetic Acid → HCID 67455256, compound

HRID 2148001Notes

Reaction equation

HRID 2148001 reaction equation
[CH3:24][C:25](=[O:26])[OH:27].[CH3:28][OH:29].[Na+:23].[OH-:22].[c:1]1(-[c:7]2[c:8]([CH2:16][CH2:17][C:18]([F:19])([F:20])[F:21])[c:9]([C:12](=[O:13])[O:14][CH3:15])[n:10][o:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[c:8]([CH2:16][CH2:17][C:18]([F:19])([F:20])[F:21])[c:9]([C:12](=[O:13])[OH:14])[n:10][o:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 67454167Methyl 5-phenyl-4-(3,3,3-trifluoropropyl)isoxazole-3-carboxylate

Product 1

HCID 67455256HCID 67455256, compound

Sources & evidence

ORD record
ord-bd31b1b5aeab49c187a8b23af4c8def3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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