Water → 4-(5-Chloropentanoyl)benzonitrile
Reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([C:8]#[N:9])[cH:10][cH:11]1.[CH3:12][Si:13]([N-:14][Si:15]([CH3:16])([CH3:17])[CH3:18])([CH3:19])[CH3:20].[Cl:22][CH2:23][CH2:24][CH2:25][I:26].[Li+:21].[O:28]1[CH2:29][CH2:30][CH2:31][CH2:32]1.[OH2:27]>>[C:1]([CH2:2][CH2:25][CH2:24][CH2:23][Cl:22])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([C:8]#[N:9])[cH:10][cH:11]1Participants
7
Sources & evidence
- ORD record
- ord-489e027a9a444220accf4d1cc55ebacc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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