Bicarbonate Ion → Befetupitant
Reaction equation
[C:51](=[O:52])([OH:53])[O-:54].[CH2:22]([N:23]([CH:24]([CH3:25])[CH3:26])[CH:27]([CH3:28])[CH3:29])[CH3:30].[CH3:1][NH:2][c:3]1[cH:4][n:5][c:6]([N:16]2[CH2:17][CH2:18][O:19][CH2:20][CH2:21]2)[cH:7][c:8]1-[c:9]1[c:10]([CH3:15])[cH:11][cH:12][cH:13][cH:14]1.[Cl:56][CH2:57][Cl:58].[F:31][C:32]([c:33]1[cH:34][c:35]([C:43]([C:44](=[O:45])[Cl:46])([CH3:47])[CH3:48])[cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[cH:38]1)([F:49])[F:50].[Na+:55]>>[CH3:1][N:2]([c:3]1[cH:4][n:5][c:6]([N:16]2[CH2:17][CH2:18][O:19][CH2:20][CH2:21]2)[cH:7][c:8]1-[c:9]1[c:10]([CH3:15])[cH:11][cH:12][cH:13][cH:14]1)[C:44]([C:43]([c:35]1[cH:34][c:33]([C:32]([F:31])([F:49])[F:50])[cH:38][c:37]([C:39]([F:40])([F:41])[F:42])[cH:36]1)([CH3:47])[CH3:48])=[O:45]Participants
7
Sources & evidence
- ORD record
- ord-b7b040dd663f49b4ad2b5dd3414fbcc0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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