2-Isopropoxy-5-methylsulfonylbenzoic acid → HCID 57445258, compound
Reaction equation
[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6]2[c:11]([cH:12]1)[CH2:10][NH:9][CH2:8][CH2:7]2)[CH3:13].[CH:14]([CH3:15])([CH3:16])[O:17][c:18]1[c:19]([C:20](=[O:21])[OH:22])[cH:23][c:24]([S:27](=[O:28])(=[O:29])[CH3:30])[cH:25][cH:26]1>>[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6]2[c:11]([cH:12]1)[CH2:10][N:9]([C:20]([c:19]1[c:18]([O:17][CH:14]([CH3:15])[CH3:16])[cH:26][cH:25][c:24]([S:27](=[O:28])(=[O:29])[CH3:30])[cH:23]1)=[O:21])[CH2:8][CH2:7]2)[CH3:13]Participants
3
Sources & evidence
- ORD record
- ord-18b1ba9108694ef89991b799c0d955c5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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