Acetic Acid → 2-(3-Phenoxyphenyl)propanenitrile
Reaction equation
[CH3:27][C:28](=[O:29])[OH:30].[Cu+2:37].[OH2:26].[S:32]([O-:33])([O-:34])(=[O:35])=[O:36].[Zn:31].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6][C:8]([C:9]#[N:10])([CH3:11])[c:12]2[cH:13][c:14]([O:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:15][cH:16][cH:17]2)[cH:7][cH:25]1>>[CH:8]([C:9]#[N:10])([CH3:11])[c:12]1[cH:13][c:14]([O:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:15][cH:16][cH:17]1Participants
7
Sources & evidence
- ORD record
- ord-8b66493693014a09b4d4149d2c3a7f1f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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