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

HRID 124132Notes

Reaction equation

HRID 124132 reaction equation
[Br:10][CH2:11][C:12]1([CH3:38])[S:13][CH:14]2[N:15]([CH:16]1[C:17](=[O:18])[O:19][CH2:20][C:21]([Cl:22])([Cl:23])[Cl:24])[C:25](=[O:37])[CH:26]2[NH:27][C:28]([CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)=[O:36].[C:1]([CH3:2])(=[S:3])[OH:4].[CH3:39][C:40](=[O:41])[CH3:42].[O-:5][P:6](=[O:7])([O-:8])[O-:9]>>[C:1]([CH3:2])([S:3][CH2:11][C:12]1([CH3:38])[S:13][CH:14]2[N:15]([CH:16]1[C:17](=[O:18])[O:19][CH2:20][C:21]([Cl:22])([Cl:23])[Cl:24])[C:25](=[O:37])[CH:26]2[NH:27][C:28]([CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)=[O:36])=[O:4]

Participants

5

Reactant 4

HCID 180AcetoneHCID 1061PhosphateHCID 12895259HCID 12895259, compoundHCID 178418634HCID 178418634, compound

Product 1

HCID 233459192,2,2-Trichloroethyl 3-(acetylsulfanylmethyl)-3-methyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Sources & evidence

ORD record
ord-4bf622fec54a40b2b36ebbf179384d46
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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