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
[CH2:1]([O:2][C:3](=[O:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[c:10]([F:39])[c:11]([CH:17]([c:18]2[n:19][n:20](-[c:24]3[n:25][cH:26][cH:27][cH:28][n:29]3)[c:21](=[O:23])[nH:22]2)[NH:30][c:31]2[cH:32][cH:33][c:34]([C:37]#[N:38])[cH:35][cH:36]2)[cH:12][c:13]([O:15][CH3:16])[cH:14]1)[CH3:40].[CH3:43][C:44](=[O:45])[OH:46].[Na+:42].[OH-:41].[OH2:47]>>[OH:5][CH2:6][CH2:7][O:8][c:9]1[c:10]([F:39])[c:11]([CH:17]([c:18]2[n:19][n:20](-[c:24]3[n:25][cH:26][cH:27][cH:28][n:29]3)[c:21](=[O:23])[nH:22]2)[NH:30][c:31]2[cH:32][cH:33][c:34]([C:37]#[N:38])[cH:35][cH:36]2)[cH:12][c:13]([O:15][CH3:16])[cH:14]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-d0a9d26b1ad14543b7aa7a2d63c785bc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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