Sodium ion → 2-[5-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]benzoic 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:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:28][cH:29][cH:30][cH:31]3)[n:19][cH:20]2)[c:8]([CH2:10][CH2:11][CH2:12][CH3:13])[n:9]1.[Na+:33].[OH-:32].[OH2:34]>>[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:23](=[O:24])[OH:25])[cH:28][cH:29][cH:30][cH:31]3)[n:19][cH:20]2)[c:8]([CH2:10][CH2:11][CH2:12][CH3:13])[n:9]1Participants
5
Sources & evidence
- ORD record
- ord-eb44a8b4852548109b9394f113a25cba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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