Acetic Acid → 5-Bromo-2-[2-(3-methoxy-2-methylphenyl)-ethyl]-phenylacetic acid
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:11][CH2:12][c:13]2[c:14]([CH3:21])[c:15]([O:19][CH3:20])[cH:16][cH:17][cH:18]2)[c:6]([CH2:8][C:9]#[N:10])[cH:7]1.[CH3:28][C:29](=[O:30])[OH:31].[OH2:27].[S:22]([OH:23])(=[O:24])(=[O:25])[OH:26]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:11][CH2:12][c:13]2[c:14]([CH3:21])[c:15]([O:19][CH3:20])[cH:16][cH:17][cH:18]2)[c:6]([CH2:8][C:9]([OH:23])=[O:27])[cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-41a9a99c8e824d23a8418c729bd9c526
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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