Ethanol → 1-{4-[(ethylamino)carbonyl]-2-(3-phenylpropoxy)phenyl}-1H-1,2,3-triazole-4-carboxylic acid
Reaction equation
[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[c:6]1[cH:7][c:8]([O:22][CH2:23][CH2:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:9](-[n:12]2[n:13][n:14][c:15]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:16]2)[cH:10][cH:11]1.[CH3:34][CH2:35][OH:36].[Na+:33].[OH-:32]>>[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[c:6]1[cH:7][c:8]([O:22][CH2:23][CH2:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:9](-[n:12]2[n:13][n:14][c:15]([C:17](=[O:18])[OH:19])[cH:16]2)[cH:10][cH:11]1Participants
5
Sources & evidence
- ORD record
- ord-81d85400e2fc47e488eb88aa323a8814
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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