Chloride → 5-Amino-2-(3-isopropyl-4-hydroxy-phenoxy)-3-methyl-benzonitrile
Reaction equation
[CH3:25][CH2:26][OH:27].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][c:6]([O:7][c:8]2[c:9]([C:10]#[N:11])[cH:12][c:13]([N+:17]([O-:18])=[O:19])[cH:14][c:15]2[CH3:16])[cH:20][cH:21][c:22]1[OH:23].[Cl-:24]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][c:6]([O:7][c:8]2[c:9]([C:10]#[N:11])[cH:12][c:13]([NH2:17])[cH:14][c:15]2[CH3:16])[cH:20][cH:21][c:22]1[OH:23]Participants
4
Sources & evidence
- ORD record
- ord-e4229005761c41e3a6eac6fb9e5fa27a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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