Sodium ion → 6-[({1-[2-(6-Nitro-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 303785Notes

Reaction equation

HRID 303785 reaction equation
[C:37]([BH3-:38])#[N:39].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][N:10]2[C:11](=[O:23])[CH2:12][O:13][c:14]3[c:15]2[cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][cH:19]3)[CH2:6][CH2:7]1.[Na+:40].[O:24]=[C:25]1[NH:26][c:27]2[c:28]([cH:31][cH:32][c:33]([CH:35]=[O:36])[n:34]2)[O:29][CH2:30]1>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][N:10]2[C:11](=[O:23])[CH2:12][O:13][c:14]3[c:15]2[cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][cH:19]3)[CH2:6][CH2:7]1)[CH2:35][c:33]1[cH:32][cH:31][c:28]2[c:27]([n:34]1)[NH:26][C:25](=[O:24])[CH2:30][O:29]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 667749044-[2-(4-Aminopiperidin-1-yl)ethyl]-6-nitro-2H-1,4-benzoxazin-3(4H)-one

Product 1

HCID 159818916-[({1-[2-(6-Nitro-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-22a75561ce464f389c7d98bba2d3ceac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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