Sodium ion → 6-[({1-[2-(6-Fluoro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

HRID 96339Notes

Reaction equation

HRID 96339 reaction equation
[C:35]([BH3-:36])#[N:37].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][N:10]2[C:11](=[O:21])[CH2:12][O:13][c:14]3[c:15]2[cH:16][c:17]([F:20])[cH:18][cH:19]3)[CH2:6][CH2:7]1.[Na+:38].[O:22]=[C:23]1[NH:24][c:25]2[c:26]([cH:29][cH:30][c:31]([CH:33]=[O:34])[n:32]2)[O:27][CH2:28]1>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][N:10]2[C:11](=[O:21])[CH2:12][O:13][c:14]3[c:15]2[cH:16][c:17]([F:20])[cH:18][cH:19]3)[CH2:6][CH2:7]1)[CH2:33][c:31]1[cH:30][cH:29][c:26]2[c:25]([n:32]1)[NH:24][C:23](=[O:22])[CH2:28][O:27]2

Participants

5

Reactant 4

HCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 218737373-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehydeHCID 667743534-[2-(4-Aminopiperidin-1-yl)ethyl]-6-fluoro-2H-1,4-benzoxazin-3(4H)-one

Product 1

HCID 159835536-[({1-[2-(6-Fluoro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

Sources & evidence

ORD record
ord-74b9961a7c654b1896fe48f52f83efab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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