Acetic Acid → 7-Mercapto-1,4-benzodioxane-5-carboxylic acid
Reaction equation
[CH3:18][C:19](=[O:20])[OH:21].[Cl:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7]([C:15](=[O:16])[OH:17])[c:8]2[c:9]([cH:14]1)[O:10][CH2:11][CH2:12][O:13]2.[ClH:23].[OH2:24].[Sn:22]>>[SH:2][c:5]1[cH:6][c:7]([C:15](=[O:16])[OH:17])[c:8]2[c:9]([cH:14]1)[O:10][CH2:11][CH2:12][O:13]2Participants
6
Sources & evidence
- ORD record
- ord-c02fb5a85e974e75acbe04cdf2cb603c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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