Water → 2-[2-(1-Azabicyclo[3.3.0]octan-5-yl)ethylamino]benzonitrile
Reaction equation
[F:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][cH:9]1.[N:10]12[CH2:11][CH2:12][CH2:13][C:14]1([CH2:18][CH2:19][NH2:20])[CH2:15][CH2:16][CH2:17]2.[OH2:27].[cH:21]1[cH:22][cH:23][n:24][cH:25][cH:26]1>>[c:2]1([NH:20][CH2:19][CH2:18][C:14]23[N:10]([CH2:11][CH2:12][CH2:13]2)[CH2:17][CH2:16][CH2:15]3)[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][cH:9]1Participants
5
Sources & evidence
- ORD record
- ord-d662a6994cb64bf58cba20820cc9f0fe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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