Hydrochloric Acid → 3-[(Acetyloxy)methyl]-7-[[carboxy(2,3-dihydro-5-benzofuranyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

HRID 195946

Reaction equation

HRID 195946 reaction equation
[C:1](=[O:2])([OH:3])[CH:4]([C:5](=[O:6])[OH:7])[c:8]1[cH:9][cH:10][c:11]2[c:12]([cH:16]1)[CH2:13][CH2:14][O:15]2.[C:21]([CH3:22])(=[O:23])[O:24][CH2:25][C:26]1=[C:27]([C:36](=[O:37])[OH:38])[N:28]2[C:29](=[O:35])[CH:30]([NH2:34])[CH:31]2[S:32][CH2:33]1.[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[ClH:46].[OH2:53].[S:17]([Cl:18])([Cl:19])=[O:20]>>[C:1](=[O:3])([CH:4]([C:5](=[O:6])[OH:7])[c:8]1[cH:9][cH:10][c:11]2[c:12]([cH:16]1)[CH2:13][CH2:14][O:15]2)[NH:34][CH:30]1[C:29](=[O:35])[N:28]2[C:27]([C:36](=[O:37])[OH:38])=[C:26]([CH2:25][O:24][C:21]([CH3:22])=[O:23])[CH2:33][S:32][CH:31]21

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 137293-((Acetyloxy)methyl)-7-amino-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acidHCID 24386Thionyl ChlorideHCID 23335822alpha-Carboxy(2,3-dihydro-5-benzofuranyl)acetic acid

Product 1

HCID 233358323-[(Acetyloxy)methyl]-7-[[carboxy(2,3-dihydro-5-benzofuranyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Sources & evidence

ORD record
ord-138156ca54b747d8a104d93a88b9eef5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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