Sodium ion → N-(1-(3-(4-Cyanophenyl)-7-fluoro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)ethyl)-N-(2-(ethylsulfonyl)ethyl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)acetamide
Reaction equation
[Br:1][c:2]1[c:3]([CH:14]([CH3:15])[N:16]([C:17]([CH2:18][c:19]2[cH:20][c:21]([C:26]([F:27])([F:28])[F:29])[c:22]([F:25])[cH:23][cH:24]2)=[O:30])[CH2:31][CH2:32][S:33](=[O:34])(=[O:35])[CH2:36][CH3:37])[n:4][c:5]2[n:6]([c:7]1=[O:8])[cH:9][c:10]([F:13])[cH:11][cH:12]2.[C:38](#[N:39])[c:40]1[cH:41][cH:42][c:43]([B:46]([OH:47])[OH:48])[cH:44][cH:45]1.[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54]>>[c:2]1(-[c:43]2[cH:42][cH:41][c:40]([C:38]#[N:39])[cH:45][cH:44]2)[c:3]([CH:14]([CH3:15])[N:16]([C:17]([CH2:18][c:19]2[cH:20][c:21]([C:26]([F:27])([F:28])[F:29])[c:22]([F:25])[cH:23][cH:24]2)=[O:30])[CH2:31][CH2:32][S:33](=[O:34])(=[O:35])[CH2:36][CH3:37])[n:4][c:5]2[n:6]([c:7]1=[O:8])[cH:9][c:10]([F:13])[cH:11][cH:12]2Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-8ba69fd9873549d6b1222dd556b5eb01
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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