Dimethyl Sulfoxide → N-(5-(4-acetylpiperazin-1-yl)pyridin-2-yl)-2-(2-fluoro-5-methyl-4-(2-methylpyridin-4-yl)phenyl)acetamide

HRID 675983Notes

Reaction equation

HRID 675983 reaction equation
[CH3:74][S:75]([CH3:76])=[O:77].[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[F:1][c:2]1[c:3]([CH2:16][C:17](=[O:18])[OH:19])[cH:4][c:5]([CH3:15])[c:6](-[c:8]2[cH:9][c:10]([CH3:14])[n:11][cH:12][cH:13]2)[cH:7]1.[NH2:20][c:21]1[cH:22][cH:23][c:24]([N:27]2[CH2:28][CH2:29][N:30]([C:33]([CH3:34])=[O:35])[CH2:31][CH2:32]2)[cH:25][n:26]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[F:1][c:2]1[c:3]([CH2:16][C:17](=[O:19])[NH:20][c:21]2[cH:22][cH:23][c:24]([N:27]3[CH2:28][CH2:29][N:30]([C:33]([CH3:34])=[O:35])[CH2:31][CH2:32]3)[cH:25][n:26]2)[cH:4][c:5]([CH3:15])[c:6](-[c:8]2[cH:9][c:10]([CH3:14])[n:11][cH:12][cH:13]2)[cH:7]1

Participants

8

Reactant 7

HCID 679Dimethyl SulfoxideHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 284116891-(4-(6-Aminopyridin-3-YL)piperazin-1-YL)ethan-1-oneHCID 584479062-(2-Fluoro-5-methyl-4-(2-methylpyridin-4-yl)phenyl)acetic acid

Product 1

HCID 46871751N-(5-(4-acetylpiperazin-1-yl)pyridin-2-yl)-2-(2-fluoro-5-methyl-4-(2-methylpyridin-4-yl)phenyl)acetamide

Sources & evidence

ORD record
ord-2a8e4d5fe3054ce5b637deff3b15549c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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