Bicarbonate Ion → Cyclohexanecarboxamide, N-[(1R)-1-[5-[5-chloro-3-fluoro-2-(2-methyl-2H-tetrazol-5-yl)phenyl]-3-fluoro-2-pyridinyl]ethyl]-4,4-difluoro-1-hydroxy-
Reaction equation
[C:65](=[O:66])([OH:67])[O-:68].[CH3:47][CH2:48][N:49]=[C:50]=[N:51][CH2:52][CH2:53][CH2:54][N:55]([CH3:56])[CH3:57].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[Cl:13][c:14]1[cH:15][c:16]([F:36])[c:17](-[c:30]2[n:31][n:32][n:33]([CH3:35])[n:34]2)[c:18](-[c:20]2[cH:21][c:22]([F:29])[c:23]([CH:26]([CH3:27])[NH2:28])[n:24][cH:25]2)[cH:19]1.[F:1][C:2]1([F:12])[CH2:3][CH2:4][C:5]([C:8](=[O:9])[OH:10])([OH:11])[CH2:6][CH2:7]1.[Na+:69].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:75].[OH:37][n:38]1[c:39]2[c:40]([cH:41][cH:42][cH:43][cH:44]2)[n:45][n:46]1>>[F:1][C:2]1([F:12])[CH2:3][CH2:4][C:5]([C:8](=[O:10])[NH:28][CH:26]([c:23]2[c:22]([F:29])[cH:21][c:20](-[c:18]3[c:17](-[c:30]4[n:31][n:32][n:33]([CH3:35])[n:34]4)[c:16]([F:36])[cH:15][c:14]([Cl:13])[cH:19]3)[cH:25][n:24]2)[CH3:27])([OH:11])[CH2:6][CH2:7]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-acfcd07bd2114e1294c5beb7010ceae7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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