Hydrochloric Acid → 2-[4-(2-Hydroxyethylamino)piperidin-1-yl]-5-nitrobenzonitrile
Reaction equation
[C:23]([BH3-:24])#[N:25].[CH3:33][OH:34].[ClH:27].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([N:12]2[CH2:13][CH2:14][C:15](=[O:18])[CH2:16][CH2:17]2)[c:8]([C:9]#[N:10])[cH:11]1.[Na+:26].[O:28]1[CH2:29][CH2:30][CH2:31][CH2:32]1.[OH:19][CH2:20][CH2:21][NH2:22]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([N:12]2[CH2:13][CH2:14][CH:15]([NH:22][CH2:21][CH2:20][OH:19])[CH2:16][CH2:17]2)[c:8]([C:9]#[N:10])[cH:11]1Participants
8
Sources & evidence
- ORD record
- ord-b98eaca3559046a2a38245bdef6a494d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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