Bicarbonate Ion → N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-7-methyl-N-(2-methyltetrazol-5-yl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
Reaction equation
[C:53](=[O:54])([OH:55])[O-:56].[CH2:58]([Cl:59])[Cl:60].[F:8][C:9]([c:10]1[cH:11][c:12]([CH2:13][N:14]([CH:15]2[c:16]3[c:17]([cH:29][c:30]([C:34]([F:35])([F:36])[F:37])[c:31]([CH3:33])[cH:32]3)[N:18]([C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:19][CH2:20][CH2:21]2)[c:38]2[n:39][n:40][n:41]([CH3:43])[n:42]2)[cH:44][c:45]([C:47]([F:48])([F:49])[F:50])[cH:46]1)([F:51])[F:52].[Na+:57].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[F:8][C:9]([c:10]1[cH:11][c:12]([CH2:13][N:14]([CH:15]2[c:16]3[c:17]([cH:29][c:30]([C:34]([F:35])([F:36])[F:37])[c:31]([CH3:33])[cH:32]3)[NH:18][CH2:19][CH2:20][CH2:21]2)[c:38]2[n:39][n:40][n:41]([CH3:43])[n:42]2)[cH:44][c:45]([C:47]([F:48])([F:49])[F:50])[cH:46]1)([F:51])[F:52]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-de9bad61d6c5414192ad5a7778dfbf1f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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