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

HRID 683070Notes

Reaction equation

HRID 683070 reaction equation
[C:36]([O:37][BH3-:38])(=[O:39])[CH3:40].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][n:10]2[c:11](=[O:22])[cH:12][n:13][c:14]3[cH:15][cH:16][c:17]([C:20]#[N:21])[cH:18][c:19]23)[CH2:6][CH2:7]1.[Na+:41].[O:23]=[C:24]1[NH:25][c:26]2[c:27]([cH:30][cH:31][c:32]([CH:34]=[O:35])[n:33]2)[O:28][CH2:29]1>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][n:10]2[c:11](=[O:22])[cH:12][n:13][c:14]3[cH:15][cH:16][c:17]([C:20]#[N:21])[cH:18][c:19]23)[CH2:6][CH2:7]1)[CH2:34][c:32]1[cH:31][cH:30][c:27]2[c:26]([n:33]1)[NH:25][C:24](=[O:23])[CH2:29][O:28]2

Participants

5

Reactant 4

HCID 923Sodium ionHCID 12268230AcetoxyborohydrideHCID 218737373-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehydeHCID 667749921-(2-(4-aminopiperidin-1-yl)ethyl)-7-cyanoquinoxalin-2(1H)-one

Product 1

HCID 667744253-Oxo-4-[2-(4-{[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}piperidin-1-yl)ethyl]-3,4-dihydroquinoxaline-6-carbonitrile

Sources & evidence

ORD record
ord-d084386c373147c7baf1850fe2be17f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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