Sodium ion → 4-{[{4-[(4-Butylphenyl)ethynyl]benzyl}(hexanoyl)amino]methyl}benzoic acid
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][N:18]([C:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])=[O:25])[CH2:26][c:27]3[cH:28][cH:29][c:30]([C:31](=[O:32])[O:33][CH3:34])[cH:35][cH:36]3)[cH:37][cH:38]2)[cH:9][cH:10]1.[Na+:40].[OH-:39]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][N:18]([C:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])=[O:25])[CH2:26][c:27]3[cH:28][cH:29][c:30]([C:31](=[O:32])[OH:33])[cH:35][cH:36]3)[cH:37][cH:38]2)[cH:9][cH:10]1Participants
4
Sources & evidence
- ORD record
- ord-469f2bf116224136835bb22e57cf6dff
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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