Acetic Acid → 2-(4-Isopropylpiperazin-1-yl)isonicotinonitrile
Reaction equation
[C:23]([O:24][BH-:25]([O:26][C:27](=[O:28])[CH3:29])[O:30][C:31](=[O:32])[CH3:33])(=[O:34])[CH3:35].[CH3:15][C:16](=[O:17])[OH:18].[CH3:19][C:20]([CH3:21])=[O:22].[Cl:39][CH2:40][Cl:41].[N:1]1([c:7]2[cH:8][c:9]([C:10]#[N:11])[cH:12][cH:13][n:14]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[Na+:36].[Na+:38].[OH-:37]>>[N:1]1([c:7]2[cH:8][c:9]([C:10]#[N:11])[cH:12][cH:13][n:14]2)[CH2:2][CH2:3][N:4]([CH:20]([CH3:19])[CH3:21])[CH2:5][CH2:6]1Participants
8
Sources & evidence
- ORD record
- ord-be52d15ce5db432397422cbfedd78e03
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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