Ethanol → [4-(2-oxopyrrolidin-1-yl)phenyl]acetic acid

HRID 1569179Notes

Reaction equation

HRID 1569179 reaction equation
[CH2:3]([CH3:4])[CH:5]([C:6](=[O:7])[O-:8])[c:9]1[cH:10][cH:11][c:12]([N:15]2[C:16](=[O:20])[CH2:17][CH2:18][CH2:19]2)[cH:13][cH:14]1.[CH3:33][CH2:34][OH:35].[K+:27].[Na+:2].[O:28]1[CH2:29][CH2:30][CH2:31][CH2:32]1.[OH-:1].[OH2:21].[S:22]([O-:23])([OH:24])(=[O:25])=[O:26]>>[CH2:5]([C:6](=[O:7])[OH:8])[c:9]1[cH:10][cH:11][c:12]([N:15]2[C:16](=[O:20])[CH2:17][CH2:18][CH2:19]2)[cH:13][cH:14]1

Participants

9

Reactant 8

HCID 702EthanolHCID 813Potassium CationHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 61778Sulfate, hydrogenHCID 178454631HCID 178454631, compound

Product 1

HCID 7130749[4-(2-oxopyrrolidin-1-yl)phenyl]acetic acid

Sources & evidence

ORD record
ord-6f5a2e9d41a44ab8abe2ac6b30dfff22
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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