Ammonium → 5-Amino-2-[4-(tertbutoxycarbonyl)homopiperazin-1-yl]benzonitrile
Reaction equation
[CH3:30][CH2:31][OH:32].[Cl-:1].[Fe:29].[N+:4]([O-:5])(=[O:6])[c:7]1[cH:8][cH:9][c:10]([N:15]2[CH2:16][CH2:17][N:18]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:19][CH2:20][CH2:21]2)[c:11]([C:12]#[N:13])[cH:14]1.[NH4+:2].[OH2:3]>>[NH2:4][c:7]1[cH:8][cH:9][c:10]([N:15]2[CH2:16][CH2:17][N:18]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:19][CH2:20][CH2:21]2)[c:11]([C:12]#[N:13])[cH:14]1Participants
7
Sources & evidence
- ORD record
- ord-dced0c9093b34b0b9d85c79a307acb99
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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