1-Butanol → (-)-p-(2-Cyano-2-methylhexyloxy)phenol
Reaction equation
[CH2:39]([OH:40])[CH2:41][CH2:42][CH3:43].[CH3:29][CH2:30][CH2:31][CH2:32][O-:33].[Cl-:38].[Na+:34].[Na+:36].[Na+:37].[OH-:35].[OH:21][c:22]1[cH:23][cH:24][c:25]([OH:26])[cH:27][cH:28]1.[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([O:7][CH2:11][C:12]([CH2:13][CH2:14][CH2:15][CH3:16])([CH3:17])[C:18]#[N:19])(=[O:8])=[O:9])[cH:10][cH:20]1>>[CH2:11]([C:12]([CH2:13][CH2:14][CH2:15][CH3:16])([CH3:17])[C:18]#[N:19])[O:21][c:22]1[cH:23][cH:24][c:25]([OH:26])[cH:27][cH:28]1Participants
8
Sources & evidence
- ORD record
- ord-384f982b8cfc46b5b1e3dab550c19ff1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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