Acetate → 2-Acetyl-5-thien-2-yl-cyclohexane-1,3-dione

HRID 302675Notes

Reaction equation

HRID 302675 reaction equation
[C:19]([CH:20]1[C:21](=[O:22])[CH2:23][CH:24]([c:25]2[cH:26][cH:27][c:28]([F:29])[cH:30][cH:31]2)[CH2:32][C:33]1=[O:34])(=[O:35])[CH3:36].[CH3:15][C:16]([O-:17])=[O:18].[Na+:14].[s:1]1[c:2]([CH:6]2[CH2:7][C:8](=[O:13])[CH2:9][C:10](=[O:12])[CH2:11]2)[cH:3][cH:4][cH:5]1>>[s:1]1[c:2]([CH:6]2[CH2:7][C:8](=[O:13])[CH:9]([C:16]([CH3:15])=[O:17])[C:10](=[O:12])[CH2:11]2)[cH:3][cH:4][cH:5]1

Participants

5

Reactant 4

HCID 175AcetateHCID 923Sodium ionHCID 5736855-(2-Thienyl)cyclohexane-1,3-dioneHCID 529508832-Acetyl-5-(4-fluoro-phenyl)cyclohexane-1,3-dione

Product 1

HCID 529502492-Acetyl-5-thien-2-yl-cyclohexane-1,3-dione

Sources & evidence

ORD record
ord-fc07b39a71514a4c929740e410340d4c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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