Sodium ion → 3-Oxo-4-[2-(6-{[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}-3-azabicyclo[3.1.0]hex-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile

HRID 289732Notes

Reaction equation

HRID 289732 reaction equation
[C:36]([BH3-:37])#[N:38].[NH2:1][CH:2]1[CH:3]2[CH2:4][N:5]([CH2:8][CH2:9][N:10]3[C:11](=[O:22])[CH2:12][O:13][c:14]4[c:15]3[cH:16][c:17]([C:20]#[N:21])[cH:18][cH:19]4)[CH2:6][CH:7]12.[Na+:39].[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[CH:3]2[CH2:4][N:5]([CH2:8][CH2:9][N:10]3[C:11](=[O:22])[CH2:12][O:13][c:14]4[c:15]3[cH:16][c:17]([C:20]#[N:21])[cH:18][cH:19]4)[CH2:6][CH:7]12)[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 498716Cyano-borohydrideHCID 218737373-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehydeHCID 667753604-[2-(6-Amino-3-azabicyclo[3.1.0]hex-3-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile

Product 1

HCID 159820173-Oxo-4-[2-(6-{[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}-3-azabicyclo[3.1.0]hex-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile

Sources & evidence

ORD record
ord-d56bc0ceff594642a4b15e0f41fa10e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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