Ethanol → 3,5-Dimethyl-4-(3'-iso-propyl-4'-methoxyphenoxy)phenylacetonitrile
Reaction equation
[CH3:27][CH2:28][OH:29].[CH3:4][c:5]1[cH:6][c:7]([CH2:8][Br:9])[cH:10][c:11]([CH3:25])[c:12]1[O:13][c:14]1[cH:15][c:16]([CH:22]([CH3:23])[CH3:24])[c:17]([O:20][CH3:21])[cH:18][cH:19]1.[Na:1][C:2]#[N:3].[OH2:26]>>[C:2](#[N:3])[CH2:8][c:7]1[cH:6][c:5]([CH3:4])[c:12]([O:13][c:14]2[cH:15][c:16]([CH:22]([CH3:23])[CH3:24])[c:17]([O:20][CH3:21])[cH:18][cH:19]2)[c:11]([CH3:25])[cH:10]1Participants
5
Sources & evidence
- ORD record
- ord-33d51c2198a248e3a86298b03258c923
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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