Bicarbonate Ion → [3-[[2-[2-[(2-Chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-4-oxoazetidin-2-yl]methyl acetate

HRID 101684Notes

Reaction equation

HRID 101684 reaction equation
[C:12](=[O:13])([O-:14])[OH:15].[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH:6]1[CH:7]([NH2:11])[C:8](=[O:10])[NH:9]1.[Cl:17][CH2:18][C:19](=[O:20])[NH:21][c:22]1[s:23][cH:24][c:25]([C:27]([C:28](=[O:29])[Cl:30])=[N:31][O:32][CH3:33])[n:26]1.[Na+:16].[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[OH2:34]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH:6]1[CH:7]([NH:11][C:28]([C:27]([c:25]2[cH:24][s:23][c:22]([NH:21][C:19]([CH2:18][Cl:17])=[O:20])[n:26]2)=[N:31][O:32][CH3:33])=[O:29])[C:8](=[O:10])[NH:9]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 21244615(3-Amino-4-oxoazetidin-2-yl)methyl acetateHCID 538001502-(2-Chloroacetamido-4-thiazolyl)-2-methoxyiminoacetyl chloride

Product 1

HCID 54360192[3-[[2-[2-[(2-Chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-4-oxoazetidin-2-yl]methyl acetate

Sources & evidence

ORD record
ord-3103802cd8dc41ecac666f1959c7ed98
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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