Diethyl (1-cyanoethyl)phosphonate → 2-[1-[4-[5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperidin-4-ylidene]propanenitrile

HRID 207386Notes

Reaction equation

HRID 207386 reaction equation
[CH2:23]([O:24][P:25](=[O:26])([O:27][CH2:28][CH3:29])[CH:31]([CH3:32])[C:33]#[N:34])[CH3:30].[O:1]=[C:2]1[CH2:3][CH2:4][N:5]([c:8]2[c:9]([F:22])[cH:10][c:11]([N:14]3[C:15](=[O:21])[O:16][CH:17]([CH2:19][NH2:20])[CH2:18]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1>>[C:2]1(=[C:31]([CH3:32])[C:33]#[N:34])[CH2:3][CH2:4][N:5]([c:8]2[c:9]([F:22])[cH:10][c:11]([N:14]3[C:15](=[O:21])[O:16][CH:17]([CH2:19][NH2:20])[CH2:18]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1

Participants

3

Reactant 2

HCID 282103Diethyl (1-cyanoethyl)phosphonateHCID 229436235-(Aminomethyl)-3-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one

Product 1

HCID 693154362-[1-[4-[5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperidin-4-ylidene]propanenitrile

Sources & evidence

ORD record
ord-dbb5bd8e56864d3fab8f2df440d690e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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