Sodium ion → N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2-fluoro-4-methyl-4'-(morpholinomethyl)-[1,1'-biphenyl]-3-carboxamide

HRID 2138524Notes

Reaction equation

HRID 2138524 reaction equation
[Br:1][c:2]1[c:3]([F:31])[c:4]([C:5](=[O:6])[NH:7][CH2:8][c:9]2[c:10](=[O:17])[nH:11][c:12]([CH3:16])[cH:13][c:14]2[CH3:15])[c:18]([CH3:30])[c:19]([N:21]([CH:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[CH2:28][CH3:29])[cH:20]1.[C:54](=[O:55])([O-:56])[O-:57].[CH2:60]1[O:61][CH2:62][CH2:63][O:64][CH2:65]1.[CH3:32][C:33]1([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38][B:39]([c:40]2[cH:41][cH:42][c:43]([CH2:44][N:45]3[CH2:46][CH2:47][O:48][CH2:49][CH2:50]3)[cH:51][cH:52]2)[O:53]1.[Na+:58].[Na+:59].[OH2:66].[Pd:86].[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1>>[c:2]1(-[c:40]2[cH:41][cH:42][c:43]([CH2:44][N:45]3[CH2:46][CH2:47][O:48][CH2:49][CH2:50]3)[cH:51][cH:52]2)[c:3]([F:31])[c:4]([C:5](=[O:6])[NH:7][CH2:8][c:9]2[c:10](=[O:17])[nH:11][c:12]([CH3:16])[cH:13][c:14]2[CH3:15])[c:18]([CH3:30])[c:19]([N:21]([CH:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[CH2:28][CH3:29])[cH:20]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 23938PalladiumHCID 312751,4-DioxaneHCID 27955024-((Morpholino)methyl)phenylboronic acid pinacol esterHCID 866726653-bromo-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2-fluoro-6-methylbenzamide

Product 1

HCID 71465120N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2-fluoro-4-methyl-4'-(morpholinomethyl)-[1,1'-biphenyl]-3-carboxamide

Sources & evidence

ORD record
ord-5abb71f1663f49268c37c48cdd942365
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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