Ethanol → 4-{[2-Ethyl-1-(3-methyl-1-benzothiophen-2-yl)butyl]amino}benzoic acid
Reaction equation
[CH2:1]([CH3:2])[CH:3]([CH:4]([c:5]1[s:6][c:7]2[c:8]([c:9]1[CH3:10])[cH:11][cH:12][cH:13][cH:14]2)[NH:15][c:16]1[cH:17][cH:18][c:19]([C:20](=[O:21])[O:22][CH3:23])[cH:24][cH:25]1)[CH2:26][CH3:27].[CH3:35][CH2:36][OH:37].[Na+:34].[O:28]1[CH2:29][CH2:30][CH2:31][CH2:32]1.[OH-:33]>>[CH2:1]([CH3:2])[CH:3]([CH:4]([c:5]1[s:6][c:7]2[c:8]([c:9]1[CH3:10])[cH:11][cH:12][cH:13][cH:14]2)[NH:15][c:16]1[cH:17][cH:18][c:19]([C:20](=[O:21])[OH:22])[cH:24][cH:25]1)[CH2:26][CH3:27]Participants
6
Sources & evidence
- ORD record
- ord-ad8443ba9a87484988b805767153c0d1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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