Sodium ion → 3-Chloro-2',5'-difluoro-N-[(oxan-4-yl)methyl][2,4'-bipyridin]-6-amine

HRID 149977Notes

Reaction equation

HRID 149977 reaction equation
[BH:34]([OH:35])[OH:36].[Br:1][c:2]1[c:3]([Cl:16])[cH:4][cH:5][c:6]([NH:8][CH2:9][CH:10]2[CH2:11][CH2:12][O:13][CH2:14][CH2:15]2)[n:7]1.[CH3:37][O:38][CH2:39][CH2:40][O:41][CH3:42].[F:17][c:18]1[n:19][cH:20][c:21]([F:27])[c:22]([B:24]([OH:25])[OH:26])[cH:23]1.[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[OH2:43]>>[c:2]1(-[c:22]2[c:21]([F:27])[cH:20][n:19][c:18]([F:17])[cH:23]2)[c:3]([Cl:16])[cH:4][cH:5][c:6]([NH:8][CH2:9][CH:10]2[CH2:11][CH2:12][O:13][CH2:14][CH2:15]2)[n:7]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 61668Boronic AcidHCID 53485463(2,5-Difluoropyridin-4-yl)boronic acidHCID 581273416-bromo-5-chloro-N-((tetrahydro-2H-pyran-4-yl)methyl)pyridin-2-amine

Product 1

HCID 669369493-Chloro-2',5'-difluoro-N-[(oxan-4-yl)methyl][2,4'-bipyridin]-6-amine

Sources & evidence

ORD record
ord-6b2eac1d0dd3466c92456a76c8692c36
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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