Bicarbonate Ion → [4-[[hexahydro-4-[(4-phenoxyphenyl)methyl]-1H-1,4-diazepin-1-yl]methyl]phenyl]methanol
Reaction equation
[C:33](=[O:34])([OH:35])[O-:36].[Na+:37].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11]([CH2:14][N:15]2[CH2:16][CH2:17][N:18]([CH2:22][c:23]3[cH:24][cH:25][c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31][cH:32]3)[CH2:19][CH2:20][CH2:21]2)[cH:12][cH:13]1.[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11]([CH2:14][N:15]2[CH2:16][CH2:17][N:18]([CH2:22][c:23]3[cH:24][cH:25][c:26]([CH2:27][OH:28])[cH:31][cH:32]3)[CH2:19][CH2:20][CH2:21]2)[cH:12][cH:13]1Participants
5
Sources & evidence
- ORD record
- ord-e895c8b795c444c5a1132222c5036ffb
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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