Sodium ion → (4-Nitrophenyl)methyl 3-(2-acetamidoethenylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

HRID 282756Notes

Reaction equation

HRID 282756 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]=[CH:6][S:7][C:8]1=[C:9]([C:21](=[O:22])[O:23][CH2:24][c:25]2[cH:26][cH:27][c:28]([N+:31](=[O:32])[O-:33])[cH:29][cH:30]2)[N:10]2[C:11](=[O:20])[CH:12]([CH:15]([CH3:16])[O:17][CH:18]=[O:19])[CH:13]2[CH2:14]1.[CH2:36]([O:37][C:38](=[O:39])[CH3:40])[CH3:41].[Na+:35].[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[OH-:34]>>[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]=[CH:6][S:7][C:8]1=[C:9]([C:21](=[O:22])[O:23][CH2:24][c:25]2[cH:26][cH:27][c:28]([N+:31](=[O:32])[O-:33])[cH:29][cH:30]2)[N:10]2[C:11](=[O:20])[CH:12]([CH:15]([CH3:16])[OH:17])[CH:13]2[CH2:14]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 961HydroxideHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 178474922HCID 178474922, compound

Product 1

HCID 70510926(4-Nitrophenyl)methyl 3-(2-acetamidoethenylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Sources & evidence

ORD record
ord-5279b499dc804414a3ef5cd38c9d2fa3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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