Ethanol → 4-{[(5-Butanoyl-2-ethylthiophen-3-yl)(cyclohexyl)methyl]amino}benzoic acid
Reaction equation
[C:1]([CH2:2][CH2:3][CH3:4])(=[O:5])[c:6]1[cH:7][c:8]([CH:13]([CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[NH:20][c:21]2[cH:22][cH:23][c:24]([C:25](=[O:26])[O:27][CH3:28])[cH:29][cH:30]2)[c:9]([CH2:11][CH3:12])[s:10]1.[CH3:38][CH2:39][OH:40].[Na+:37].[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[OH-:36]>>[C:1]([CH2:2][CH2:3][CH3:4])(=[O:5])[c:6]1[cH:7][c:8]([CH:13]([CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[NH:20][c:21]2[cH:22][cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:29][cH:30]2)[c:9]([CH2:11][CH3:12])[s:10]1Participants
6
Sources & evidence
- ORD record
- ord-5e2f56ff8819417584853377d578b4f8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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