Hydrochloric Acid → hexahydro-4-[[4-(phenylmethoxy)phenyl]methyl]-1H-1,4-diazepine-1-propanoic acid
Reaction equation
[CH3:32][OH:33].[ClH:31].[Na+:30].[OH-:29].[OH2:34].[c:1]1([CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([CH2:15][N:16]3[CH2:17][CH2:18][N:19]([CH2:23][CH2:24][C:25](=[O:26])[O:27][CH3:28])[CH2:20][CH2:21][CH2:22]3)[cH:13][cH:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([CH2:15][N:16]3[CH2:17][CH2:18][N:19]([CH2:23][CH2:24][C:25](=[O:26])[OH:27])[CH2:20][CH2:21][CH2:22]3)[cH:13][cH:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
7
Sources & evidence
- ORD record
- ord-1ad23fbae0cc49b8a8c7ac6ed03de24c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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