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 109890Notes

Reaction equation

HRID 109890 reaction equation
[Br:5][CH2:6][CH2:7][C:8]1([CH3:34])[S:9][CH:10]2[N:11]([CH:12]1[C:13](=[O:14])[O:15][CH2:16][C:17]([Cl:18])([Cl:19])[Cl:20])[C:21](=[O:33])[CH:22]2[NH:23][C:24]([CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)=[O:32].[CH3:36][C:37](=[O:38])[CH3:39].[K+:1].[OH2:35].[S-:2][C:3]#[N:4]>>[S:2]([C:3]#[N:4])[CH2:7][C:8]1([CH3:34])[S:9][CH:10]2[N:11]([CH:12]1[C:13](=[O:14])[O:15][CH2:16][C:17]([Cl:18])([Cl:19])[Cl:20])[C:21](=[O:33])[CH:22]2[NH:23][C:24]([CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)=[O:32]

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium CationHCID 962WaterHCID 9322ThiocyanateHCID 178422467HCID 178422467, 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-43ca912a9a084d4083bd0f582e606bbe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…