Acetic Acid → Flurbiprofen

HRID 2153947Notes

Reaction equation

HRID 2153947 reaction equation
[C:27]([OH:28])(=[O:29])[CH3:30].[CH3:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26].[F:2][c:3]1[c:4](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:5][cH:6][c:7]([CH:9]([C:10](=[O:11])[O:12][CH3:13])[CH3:14])[cH:8]1.[Tl:1]>>[F:2][c:3]1[c:4](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:5][cH:6][c:7]([CH:9]([C:10](=[O:11])[OH:12])[CH3:14])[cH:8]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 4127Flurbiprofen Methyl EsterHCID 8058HexaneHCID 5359464Thallium

Product 1

HCID 3394Flurbiprofen

Sources & evidence

ORD record
ord-4bda7f4752794f65a9c6c1bef592a71b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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