Bicarbonate Ion → 5,5'-dichloro-2'-fluoro-N-((tetrahydro-2H-pyran-4-yl)methyl)-2,4'-bipyridin-6-amine

HRID 1135164Notes

Reaction equation

HRID 1135164 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([Cl:16])[c:6]([NH:8][CH2:9][CH:10]2[CH2:11][CH2:12][O:13][CH2:14][CH2:15]2)[n:7]1.[C:49](=[O:50])([OH:51])[O-:52].[CH3:37][O:38][CH2:39][CH2:40][O:41][CH3:42].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[Cl:17][c:18]1[c:19]([B:25]([OH:26])[OH:27])[cH:20][c:21]([F:24])[n:22][cH:23]1.[Cl:28][CH2:29][Cl:30].[Na+:31].[Na+:32].[Na+:53].[O-:33][C:34](=[O:35])[O-:36].[Pd:54]([Cl:55])[Cl:56]>>[c:2]1(-[c:19]2[c:18]([Cl:17])[cH:23][n:22][c:21]([F:24])[cH:20]2)[cH:3][cH:4][c:5]([Cl:16])[c:6]([NH:8][CH2:9][CH:10]2[CH2:11][CH2:12][O:13][CH2:14][CH2:15]2)[n:7]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 6344DichloromethaneHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 44754822(5-Chloro-2-fluoropyridin-4-yl)boronic acidHCID 581272586-bromo-3-chloro-N-((tetrahydro-2H-pyran-4-yl)methyl)pyridin-2-amine

Product 1

HCID 581272425,5'-dichloro-2'-fluoro-N-((tetrahydro-2H-pyran-4-yl)methyl)-2,4'-bipyridin-6-amine

Sources & evidence

ORD record
ord-a46cca804cd940d0a6499560eb7b48bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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