Acetic Acid → 4-({[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]-(5-oxo-1-pyrimidin-2-yl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)methyl}amino)benzonitrile
Reaction equation
[CH3:1][O:2][C:3]([O:4][CH2:5][CH2:6][O:7][c:8]1[c:9]([F:38])[c:10]([CH:16]([c:17]2[n:18][n:19](-[c:23]3[n:24][cH:25][cH:26][cH:27][n:28]3)[c:20](=[O:22])[nH:21]2)[NH:29][c:30]2[cH:31][cH:32][c:33]([C:36]#[N:37])[cH:34][cH:35]2)[cH:11][c:12]([O:14][CH3:15])[cH:13]1)=[O:39].[CH3:43][C:44](=[O:45])[OH:46].[CH3:52][OH:53].[Na+:41].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH-:40].[OH2:42]>>[OH:4][CH2:5][CH2:6][O:7][c:8]1[c:9]([F:38])[c:10]([CH:16]([c:17]2[n:18][n:19](-[c:23]3[n:24][cH:25][cH:26][cH:27][n:28]3)[c:20](=[O:22])[nH:21]2)[NH:29][c:30]2[cH:31][cH:32][c:33]([C:36]#[N:37])[cH:34][cH:35]2)[cH:11][c:12]([O:14][CH3:15])[cH:13]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-26086d090d124b479107337410be65fe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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