Bicarbonate Ion → 3-[(Acetyloxy)methyl]-7-[[(2,3-dihydro-5-benzofuranyl)-hydroxyacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

HRID 304584Notes

Reaction equation

HRID 304584 reaction equation
[C:35]([CH3:36])(=[O:37])[O:38][CH2:39][C:40]1=[C:41]([C:50](=[O:51])[OH:52])[N:42]2[C:43](=[O:49])[CH:44]([NH2:48])[CH:45]2[S:46][CH2:47]1.[C:53](=[O:54])([OH:55])[O-:56].[CH2:72]1[O:73][CH2:74][CH2:75][CH2:76]1.[CH3:15][Si:16]([CH:17]([Si:18]([CH3:19])([CH3:20])[CH3:21])[C:22]([NH2:23])=[O:24])([CH3:25])[CH3:26].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[Cl:27][C:28]([O:29][CH2:30][CH:31]([CH3:32])[CH3:33])=[O:34].[Na+:57].[OH2:58].[OH:1][CH:2]([C:3](=[O:4])[OH:5])[c:6]1[cH:7][cH:8][c:9]2[c:10]([cH:14]1)[CH2:11][CH2:12][O:13]2>>[OH:1][CH:2]([C:3](=[O:5])[NH:48][CH:44]1[C:43](=[O:49])[N:42]2[C:41]([C:50](=[O:51])[OH:52])=[C:40]([CH2:39][O:38][C:35]([CH3:36])=[O:37])[CH2:47][S:46][CH:45]21)[c:6]1[cH:7][cH:8][c:9]2[c:10]([cH:14]1)[CH2:11][CH2:12][O:13]2

Participants

11

Reactant 10

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 137293-((Acetyloxy)methyl)-7-amino-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acidHCID 62365Isobutyl chloroformateHCID 11708267BistrimethylsilylacetamidHCID 233358212-(2,3-Dihydrobenzofuran-5-yl)-2-hydroxyacetic acid

Product 1

HCID 233358483-[(Acetyloxy)methyl]-7-[[(2,3-dihydro-5-benzofuranyl)-hydroxyacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Sources & evidence

ORD record
ord-c042d5b862c14412b3b22320456a84d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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