Hydrochloric Acid → 2-{4-[2-(2-Cyclopentyl-4-hydroxy-5-{[1-methyl-3-(6-methylpyridin-2-yl)-1H-1,2,4-triazol-5-yl]methyl}-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl]-2-fluorophenyl}-2-methylpropanenitrile
Reaction equation
[CH3:30][n:31]1[n:32][c:33](-[c:38]2[n:39][c:40]([CH3:44])[cH:41][cH:42][cH:43]2)[n:34][c:35]1[CH:36]=[O:37].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH:1]1([C:6]2([CH2:14][CH2:15][c:16]3[cH:17][c:18]([F:27])[c:19]([C:22]([C:23]#[N:24])([CH3:25])[CH3:26])[cH:20][cH:21]3)[O:7][C:8](=[O:13])[CH2:9][C:10](=[O:12])[CH2:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:53]([OH:54])([CH3:55])[CH3:56].[ClH:29].[ClH:52].[OH2:28].[OH2:57]>>[CH:1]1([C:6]2([CH2:14][CH2:15][c:16]3[cH:17][c:18]([F:27])[c:19]([C:22]([C:23]#[N:24])([CH3:25])[CH3:26])[cH:20][cH:21]3)[O:7][C:8](=[O:13])[C:9]([CH2:36][c:35]3[n:31]([CH3:30])[n:32][c:33](-[c:38]4[n:39][c:40]([CH3:44])[cH:41][cH:42][cH:43]4)[n:34]3)=[C:10]([OH:12])[CH2:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-f2e40e676706401e8b7f07a5df77bd08
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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