Toluene → 5-Chloro-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile
Reaction equation
[Br:19][CH2:20][CH2:21][CH2:22][Cl:23].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:11]([C:12]#[N:13])[CH:14]([CH3:15])[CH3:16])[cH:6][cH:7][c:8]1[O:9][CH3:10].[CH3:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[NH2-:18].[Na:17]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]([C:12]#[N:13])([CH:14]([CH3:15])[CH3:16])[CH2:20][CH2:21][CH2:22][Cl:23])[cH:6][cH:7][c:8]1[O:9][CH3:10]Participants
6
Sources & evidence
- ORD record
- ord-accd1f44d7b14d23bc1415568fb9a3e4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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