2-Isopropoxy-5-methylsulfonylbenzoic acid → HCID 57445270, compound
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:6]2[c:11]([cH:12]1)[CH2:10][NH:9][CH2:8][CH2:7]2.[CH:19]([CH3:20])([CH3:21])[O:22][c:23]1[c:24]([C:25](=[O:26])[OH:27])[cH:28][c:29]([S:32](=[O:33])(=[O:34])[CH3:35])[cH:30][cH:31]1>>[CH3:1][O:2][c:3]1[cH:4][c:5](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:6]2[c:11]([cH:12]1)[CH2:10][N:9]([C:25]([c:24]1[c:23]([O:22][CH:19]([CH3:20])[CH3:21])[cH:31][cH:30][c:29]([S:32](=[O:33])(=[O:34])[CH3:35])[cH:28]1)=[O:26])[CH2:8][CH2:7]2Participants
3
Sources & evidence
- ORD record
- ord-03542a35baf441ba97f363427f9e919b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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