Acetate → Ononetin

HRID 283790Notes

Reaction equation

HRID 283790 reaction equation
[CH3:22][C:23](=[O:24])[O-:25].[CH3:9][O:10][c:11]1[cH:12][cH:13][c:14]([CH2:15][C:16]([OH:17])=[O:18])[cH:19][cH:20]1.[Na+:21].[OH:1][c:2]1[cH:3][cH:4][cH:5][c:6]([OH:7])[cH:8]1>>[OH:1][c:2]1[c:3]([C:16]([CH2:15][c:14]2[cH:13][cH:12][c:11]([O:10][CH3:9])[cH:20][cH:19]2)=[O:17])[cH:4][cH:5][c:6]([OH:7])[cH:8]1

Participants

5

Reactant 4

HCID 175AcetateHCID 923Sodium ionHCID 5054ResorcinolHCID 76904-Methoxyphenylacetic Acid

Product 1

HCID 259632Ononetin

Sources & evidence

ORD record
ord-87e6b7e58e954b2e89793e1b65997296
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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