Ethyl Acetate → 3-{1-[4-(4-Acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenyl]-ethyl}-benzonitrile
Reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:31])[c:6]([CH2:28][CH2:29][CH3:30])[c:7]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([C:16](=[CH2:17])[c:18]3[cH:19][c:20]([C:21]#[N:22])[cH:23][cH:24][cH:25]3)[cH:14][cH:15]2)[cH:26][cH:27]1.[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37]>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:31])[c:6]([CH2:28][CH2:29][CH3:30])[c:7]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([CH:16]([CH3:17])[c:18]3[cH:19][c:20]([C:21]#[N:22])[cH:23][cH:24][cH:25]3)[cH:14][cH:15]2)[cH:26][cH:27]1Participants
3
Sources & evidence
- ORD record
- ord-d56fa9a3da4249b99971e2a1c929470d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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