Chloride → 5-Bromo-1-methyl-3-(5-(1-methylazetidin-3-yl)pyridin-2-ylamino)pyridine-2(1H)-one

HRID 698075Notes

Reaction equation

HRID 698075 reaction equation
[C:23]([BH3-:24])#[N:25].[CH2:21]=[O:22].[CH2:27]([O:28][CH2:29][CH2:30][O:31][CH2:32][CH3:33])[CH3:34].[CH3:35][OH:36].[Cl-:37].[Cl-:39].[NH:1]1[CH2:2][CH:3]([c:5]2[cH:6][cH:7][c:8]([NH:11][c:12]3[c:13](=[O:20])[n:14]([CH3:19])[cH:15][c:16]([Br:18])[cH:17]3)[n:9][cH:10]2)[CH2:4]1.[Na+:26].[OH2:40].[Zn+2:38]>>[N:1]1([CH3:23])[CH2:2][CH:3]([c:5]2[cH:6][cH:7][c:8]([NH:11][c:12]3[c:13](=[O:20])[n:14]([CH3:19])[cH:15][c:16]([Br:18])[cH:17]3)[n:9][cH:10]2)[CH2:4]1

Participants

10

Reactant 9

HCID 312Chloride2×HCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 12375Ethylene glycol diethyl etherHCID 32051Zinc(2+)HCID 498716Cyano-borohydrideHCID 580437193-(5-(azetidin-3-yl)pyridin-2-ylamino)-5-bromo-1-methylpyridin-2(1H)-one

Product 1

HCID 580440835-Bromo-1-methyl-3-(5-(1-methylazetidin-3-yl)pyridin-2-ylamino)pyridine-2(1H)-one

Sources & evidence

ORD record
ord-63c547104c964e74a5527e4905548b0b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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