Water → 5-Chloro-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile
Reaction equation
[Br:19][CH2:20][CH2:21][CH2:22][Cl:23].[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[CH:1]([CH3:2])([CH3:3])[CH:4]([C:5]#[N:6])[c:7]1[cH:8][c:9]([O:15][CH3:16])[c:10]([O:13][CH3:14])[cH:11][cH:12]1.[NH2-:18].[Na:17].[OH2:24]>>[CH:1]([CH3:2])([CH3:3])[C:4]([C:5]#[N:6])([c:7]1[cH:8][c:9]([O:15][CH3:16])[c:10]([O:13][CH3:14])[cH:11][cH:12]1)[CH2:20][CH2:21][CH2:22][Cl:23]Participants
7
Sources & evidence
- ORD record
- ord-e45c6865f5be4da1bad94b32ab753065
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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