Acetic Acid → 2-(3,5-Dichlorophenyl)-3-oxobutyronitrile
Reaction equation
[CH2:29]([CH2:30][O:31][CH3:32])[O:33][CH3:34].[CH3:16][CH2:17][O:18][C:19](=[O:20])[CH3:21].[CH3:1][CH2:2][O-:3].[CH3:22][C:23](=[O:24])[OH:25].[CH3:26][CH2:27][OH:28].[CH3:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40].[Cl:5][c:6]1[cH:7][c:8]([CH2:13][C:14]#[N:15])[cH:9][c:10]([Cl:12])[cH:11]1.[Na+:4].[OH2:41]>>[CH3:1][C:2](=[O:3])[CH:13]([c:8]1[cH:7][c:6]([Cl:5])[cH:11][c:10]([Cl:12])[cH:9]1)[C:14]#[N:15]Participants
10
Sources & evidence
- ORD record
- ord-c5db3884ce2641db891fbc784a0e222d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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