Acetone → 2,2,2-Trichloroethyl 3-methyl-7-oxo-6-[(2-phenylacetyl)amino]-3-(thiocyanatomethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

HRID 1236856Notes

Reaction equation

HRID 1236856 reaction equation
[Br:5][CH2:6][C:7]1([CH3:33])[S:8][CH:9]2[N:10]([CH:11]1[C:12](=[O:13])[O:14][CH2:15][C:16]([Cl:17])([Cl:18])[Cl:19])[C:20](=[O:32])[CH:21]2[NH:22][C:23]([CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)=[O:31].[CH3:35][C:36](=[O:37])[CH3:38].[K+:1].[OH2:34].[S-:2][C:3]#[N:4]>>[S:2]([C:3]#[N:4])[CH2:6][C:7]1([CH3:33])[S:8][CH:9]2[N:10]([CH:11]1[C:12](=[O:13])[O:14][CH2:15][C:16]([Cl:17])([Cl:18])[Cl:19])[C:20](=[O:32])[CH:21]2[NH:22][C:23]([CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)=[O:31]

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium CationHCID 962WaterHCID 9322ThiocyanateHCID 12895259HCID 12895259, compound

Product 1

HCID 128061972,2,2-Trichloroethyl 3-methyl-7-oxo-6-[(2-phenylacetyl)amino]-3-(thiocyanatomethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Sources & evidence

ORD record
ord-3179c7c50c084e7f9c881ed1abec382a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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