Ethanol → 4-({cyclohexyl[1-(3-ethoxyphenyl)-3-ethyl-1H-pyrazol-4-yl]methyl}amino)benzoic acid
Reaction equation
[CH3:37][CH2:38][OH:39].[CH:1]1([CH:7]([c:8]2[c:9]([CH2:22][CH3:23])[n:10][n:11](-[c:13]3[cH:14][c:15]([O:19][CH2:20][CH3:21])[cH:16][cH:17][cH:18]3)[cH:12]2)[NH:24][c:25]2[cH:26][cH:27][c:28]([C:29](=[O:30])[O:31][CH3:32])[cH:33][cH:34]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:36].[OH-:35]>>[CH:1]1([CH:7]([c:8]2[c:9]([CH2:22][CH3:23])[n:10][n:11](-[c:13]3[cH:14][c:15]([O:19][CH2:20][CH3:21])[cH:16][cH:17][cH:18]3)[cH:12]2)[NH:24][c:25]2[cH:26][cH:27][c:28]([C:29](=[O:30])[OH:31])[cH:33][cH:34]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
5
Sources & evidence
- ORD record
- ord-3992da59b21348c9bc912aec3569c5dc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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