Ethanol → 2-Azepan-1-yl-5-oxo-5,6,7,8-tetrahydro-quinoline-3-carbonitrile
Reaction equation
[CH2:15]1[CH2:16][CH2:17][CH2:18][NH:19][CH2:20][CH2:21]1.[CH2:30]([OH:31])[CH3:32].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[Cl:1][c:2]1[n:3][c:4]2[c:9]([cH:10][c:11]1[C:12]#[N:13])[C:8](=[O:14])[CH2:7][CH2:6][CH2:5]2.[OH2:29]>>[c:2]1([N:19]2[CH2:18][CH2:17][CH2:16][CH2:15][CH2:21][CH2:20]2)[n:3][c:4]2[c:9]([cH:10][c:11]1[C:12]#[N:13])[C:8](=[O:14])[CH2:7][CH2:6][CH2:5]2Participants
6
Sources & evidence
- ORD record
- ord-aa1f6f73e6a7417488deb0e6b4eed118
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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