Ethanol → 3-[4,6-Dimethyl-7-(2,2-dimethylpropanamido)-1-octylindolin-3-yl]propionic Acid
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[N:9]1[CH2:10][CH:11]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH3:32])[c:12]2[c:13]([CH3:26])[cH:14][c:15]([CH3:25])[c:16]([NH:18][C:19]([C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[c:17]21.[CH3:35][CH2:36][OH:37].[Na+:34].[OH-:33].[OH2:38]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[N:9]1[CH2:10][CH:11]([CH2:27][CH2:28][C:29](=[O:30])[OH:31])[c:12]2[c:13]([CH3:26])[cH:14][c:15]([CH3:25])[c:16]([NH:18][C:19]([C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[c:17]21Participants
6
Sources & evidence
- ORD record
- ord-7c0e21a71bc648a58109998d3e5d6b55
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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