Sodium ion → Methyl 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-dihydro-2H-1,4-benzoxazine-6-carboxylate

HRID 105853Notes

Reaction equation

HRID 105853 reaction equation
[C:38]([BH3-:39])#[N:40].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][N:10]2[C:11](=[O:24])[CH2:12][O:13][c:14]3[c:15]2[cH:16][c:17]([C:20](=[O:21])[O:22][CH3:23])[cH:18][cH:19]3)[CH2:6][CH2:7]1.[Na+:41].[O:25]=[C:26]1[NH:27][c:28]2[c:29]([cH:32][cH:33][c:34]([CH:36]=[O:37])[n:35]2)[O:30][CH2:31]1>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][N:10]2[C:11](=[O:24])[CH2:12][O:13][c:14]3[c:15]2[cH:16][c:17]([C:20](=[O:21])[O:22][CH3:23])[cH:18][cH:19]3)[CH2:6][CH2:7]1)[CH2:36][c:34]1[cH:33][cH:32][c:29]2[c:28]([n:35]1)[NH:27][C:26](=[O:25])[CH2:31][O:30]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 66774773Methyl 4-[2-(4-aminopiperidin-1-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate

Product 1

HCID 15981894Methyl 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-dihydro-2H-1,4-benzoxazine-6-carboxylate

Sources & evidence

ORD record
ord-62b565ada4264501a4941ecd557379bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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