Dimethylformamide → 3-bromo-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methylbenzamide

HRID 2152889Notes

Reaction equation

HRID 2152889 reaction equation
[Br:1][c:2]1[c:3]([F:21])[c:4]([C:5](=[O:6])[OH:7])[c:8]([CH3:20])[c:9]([N:11]([CH:12]2[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[CH2:18][CH3:19])[cH:10]1.[CH2:55]([N:56]([CH:57]([CH3:58])[CH3:59])[CH:60]([CH3:61])[CH3:62])[CH3:63].[CH3:75][N:76]([CH3:77])[CH:78]=[O:79].[CH3:80][CH2:81][O:82][C:83]([CH3:84])=[O:85].[NH2:64][CH2:65][c:66]1[c:67](=[O:74])[nH:68][c:69]([CH3:73])[cH:70][c:71]1[CH3:72].[P-:22]([F:23])([F:24])([F:25])([F:26])([F:27])[F:28].[n:29]1([O:30][P+:31]([N:32]2[CH2:33][CH2:34][CH2:35][CH2:36]2)([N:37]2[CH2:38][CH2:39][CH2:40][CH2:41]2)[N:42]2[CH2:43][CH2:44][CH2:45][CH2:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[Br:1][c:2]1[c:3]([F:21])[c:4]([C:5](=[O:7])[NH:64][CH2:65][c:66]2[c:67](=[O:74])[nH:68][c:69]([CH3:73])[cH:70][c:71]2[CH3:72])[c:8]([CH3:20])[c:9]([N:11]([CH:12]2[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[CH2:18][CH3:19])[cH:10]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 70638443-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-oneHCID 866726643-Bromo-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methylbenzoic acid

Product 1

HCID 866726653-bromo-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methylbenzamide

Sources & evidence

ORD record
ord-15ad0a1877984c43a617b92db58a4438
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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