Water → 2-[4-(2-Oxothiolan-3-ylidenemethyl)phenyl]propionic acid

HRID 140456Notes

Reaction equation

HRID 140456 reaction equation
[CH2:27]1[O:28][CH2:29][CH2:30][O:31][CH2:32]1.[O:1]=[C:2]1[S:3][CH2:4][CH2:5][C:6]1=[CH:7][c:8]1[cH:9][cH:10][c:11]([CH:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH3:20])[cH:12][cH:13]1.[OH2:26].[S:21](=[O:22])(=[O:23])([OH:24])[OH:25]>>[O:1]=[C:2]1[S:3][CH2:4][CH2:5][C:6]1=[CH:7][c:8]1[cH:9][cH:10][c:11]([CH:14]([C:15](=[O:16])[OH:17])[CH3:20])[cH:12][cH:13]1

Participants

5

Sources & evidence

ORD record
ord-0c2e1319f9ed4c4b92868a8036203464
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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