Methanol → ethyl hexahydro-4-[(phenylmethyl)amino]-1H-azepine-1-carboxylate
Reaction equation
[CH3:29][OH:30].[H:27][H:28].[O:1]=[C:2]1[CH2:3][CH2:4][N:5]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[CH2:6][CH2:7][CH2:8]1.[c:14]1([CH2:20][NH2:21])[cH:15][cH:16][cH:17][cH:18][cH:19]1.[cH:22]1[cH:23][s:24][cH:25][cH:26]1>>[CH:2]1([NH:21][CH2:20][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:3][CH2:4][N:5]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[CH2:6][CH2:7][CH2:8]1Participants
6
Sources & evidence
- ORD record
- ord-aa23c384097f45c3a75b34f4ffa12b26
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…