Ethanol → 3-{[2-(tetrahydro-2H-pyran-2-yloxy)ethyl]sulfonyl}benzoic acid
Reaction equation
[CH3:26][CH2:27][OH:28].[Na+:24].[O:13]1[CH:14]([O:19][CH2:20][CH2:21][I:22])[CH2:15][CH2:16][CH2:17][CH2:18]1.[OH-:23].[OH2:25].[S:1](=[O:2])([OH:3])[c:4]1[cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11][cH:12]1>>[S:1](=[O:2])(=[O:3])([c:4]1[cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11][cH:12]1)[CH2:21][CH2:20][O:19][CH:14]1[O:13][CH2:18][CH2:17][CH2:16][CH2:15]1Participants
7
Sources & evidence
- ORD record
- ord-daa0c726fa3249e0bd39e0aeece7f862
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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