Phosphate → 3,3-Dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile

HRID 141498

Reaction equation

HRID 141498 reaction equation
[CH3:1][C:2]1([CH3:13])[S:3][CH:4]2[N:5]([CH:6]1[C:7]#[N:8])[C:9](=[O:12])[CH:10]2[Br:11].[O-:29][P:30](=[O:31])([O-:32])[O-:33].[O:14]1[CH2:15][CH2:16][CH2:17][CH2:18][CH:19]1[O:20][c:21]1[cH:22][cH:23][c:24]([CH:25]=[O:26])[cH:27][cH:28]1.[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[Zn:39]>>[CH3:1][C:2]1([CH3:13])[S:3][CH:4]2[N:5]([CH:6]1[C:7]#[N:8])[C:9](=[O:12])[CH2:10]2

Participants

6

Reactant 5

HCID 1061PhosphateHCID 8028TetrahydrofuranHCID 23994ZincHCID 112527364-(2-Tetrahydro-2H-pyranoxy)benzaldehydeHCID 129447126-Bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile

Product 1

HCID 205755793,3-Dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile

Sources & evidence

ORD record
ord-0459ff349655433693ca9e38212e88c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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