Dimethylformamide → N-(5-(4-acetylpiperazin-1-yl)pyridin-2-yl)-2-(3-fluoro-4-(2-fluoropyridin-4-yl)phenyl)acetamide

HRID 689850Notes

Reaction equation

HRID 689850 reaction equation
[CH:64]([N:65]([CH2:66][CH3:67])[CH:68]([CH3:69])[CH3:70])([CH3:71])[CH3:72].[Cl:97][CH2:98][Cl:99].[F:1][c:2]1[cH:3][c:4]([CH2:15][C:16]([O:18][C:17]([CH3:19])([CH3:20])[CH3:21])=[O:22])[cH:5][cH:6][c:7]1-[c:8]1[cH:9][c:10]([F:14])[n:11][cH:12][cH:13]1.[F:23][C:24]([F:25])([F:26])[C:27]([OH:28])=[O:29].[F:30][c:31]1[cH:32][c:33]([CH2:34][C:35]([OH:36])=[O:37])[cH:38][cH:39][c:40]1-[c:41]1[cH:42][cH:43][n:44][c:45]([F:46])[cH:47]1.[NH2:48][c:49]1[cH:50][cH:51][c:52]([N:55]2[CH2:56][CH2:57][N:58]([C:61]([CH3:62])=[O:63])[CH2:59][CH2:60]2)[cH:53][n:54]1.[O:100]=[CH:101][N:102]([CH3:103])[CH3:104].[P-:73]([F:74])([F:75])([F:76])([F:77])([F:78])[F:79].[n:80]1([O:81][C:82]([N:83]([CH3:84])[CH3:85])=[N+:86]([CH3:87])[CH3:88])[c:89]2[n:90][cH:91][cH:92][cH:93][c:94]2[n:95][n:96]1>>[F:1][c:2]1[cH:3][c:4]([CH2:15][C:16](=[O:18])[NH:48][c:49]2[cH:50][cH:51][c:52]([N:55]3[CH2:56][CH2:57][N:58]([C:61]([CH3:62])=[O:63])[CH2:59][CH2:60]3)[cH:53][n:54]2)[cH:5][cH:6][c:7]1-[c:8]1[cH:9][c:10]([F:14])[n:11][cH:12][cH:13]1

Participants

10

Reactant 9

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 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 584476772-(3-Fluoro-4-(2-fluoropyridin-4-yl)phenyl)acetic acidHCID 58447777Tert-butyl 2-(3-fluoro-4-(2-fluoropyridin-4-yl)phenyl)acetate

Product 1

HCID 58447812N-(5-(4-acetylpiperazin-1-yl)pyridin-2-yl)-2-(3-fluoro-4-(2-fluoropyridin-4-yl)phenyl)acetamide

Sources & evidence

ORD record
ord-b604cd53dc3f4cda9b5547e6ff08a318
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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