Acetate → 7-[[2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

HRID 702158

Reaction equation

HRID 702158 reaction equation
[CH3:39][N:40]([CH3:41])[C:42](=[O:43])[CH3:44].[CH3:3][C:4](=[O:5])[O-:6].[CH3:45][C:46](=[O:47])[CH3:48].[CH3:50][OH:51].[CH3:7][C:8](=[O:9])[O-:10].[CH:11]12[S:12][CH2:13][C:14]([CH2:15][O:16][CH3:17])=[C:18]([C:36]([OH:37])=[O:38])[N:19]1[C:20](=[O:21])[CH:22]2[NH:23][C:24](=[O:25])[C:26](=[N:27][O:28][CH3:29])[c:30]1[cH:31][s:32][c:33]([NH2:34])[n:35]1.[Ca+2:2].[OH2:1].[OH2:49]>>[CH:11]12[S:12][CH2:13][C:14]([CH2:15][O:16][CH3:17])=[C:18]([C:36](=[O:37])[OH:38])[N:19]1[C:20](=[O:21])[CH:22]2[NH:23][C:24](=[O:25])[C:26](=[N:27][O:28][CH3:29])[c:30]1[cH:31][s:32][c:33]([NH2:34])[n:35]1.[Ca:2]

Participants

9

Reactant 7

HCID 175Acetate2×HCID 180AcetoneHCID 271Calcium CationHCID 887MethanolHCID 962Water2×HCID 31374DimethylacetamideHCID 545477-[[2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Product 2

HCID 545477-[[2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidHCID 5460341Calcium

Sources & evidence

ORD record
ord-cbc6d19e9af84cf29d2137f0bcc32dce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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