Chloride → 3-Pyridinecarboxylic acid, 4-cyclohexyl-2-(1,1-dimethylethyl)phenyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:17])[cH:7][cH:8][c:9]([CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:10]1.[C:20]([c:21]1[cH:22][n:23][cH:24][cH:25][cH:26]1)(=[O:27])[OH:28].[Cl-:19].[ClH:18].[cH:29]1[cH:30][cH:31][n:32][cH:33][cH:34]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:17][C:20]([c:21]2[cH:22][n:23][cH:24][cH:25][cH:26]2)=[O:27])[cH:7][cH:8][c:9]([CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:10]1Participants
6
Sources & evidence
- ORD record
- ord-acb2dff5b89a4e0cb4fee11db1c32beb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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