Ethanol → 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylic acid
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][n:7]([CH2:14][c:15]2[cH:16][cH:17][c:18](-[c:21]3[c:22]([C:27](=[O:28])[O:29][CH3:30])[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[c:8]([CH2:10][CH2:11][CH2:12][CH3:13])[n:9]1.[CH3:33][CH2:34][OH:35].[Na+:32].[OH-:31]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][n:7]([CH2:14][c:15]2[cH:16][cH:17][c:18](-[c:21]3[c:22]([C:27](=[O:28])[OH:29])[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[c:8]([CH2:10][CH2:11][CH2:12][CH3:13])[n:9]1Participants
5
Sources & evidence
- ORD record
- ord-299e35fdd0604ef29ab6df83756a271f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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