Bicarbonate Ion → Ethyl 2-iodooxazole-4-carboxylate

HRID 2158826Notes

Reaction equation

HRID 2158826 reaction equation
[C:31](=[O:32])([OH:33])[O-:34].[CH3:43][C:44]#[N:45].[I-:30].[K+:29].[N:25]([O-:26])=[O:27].[NH2:1][c:2]1[o:3][cH:4][c:5]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[n:6]1.[Na+:28].[Na+:35].[Na+:41].[Na+:42].[OH2:12].[OH2:13].[OH2:46].[S:36]([O-:37])([O-:38])(=[O:39])=[S:40].[c:14]1([CH3:15])[cH:16][cH:17][c:18]([S:19]([OH:20])(=[O:21])=[O:22])[cH:23][cH:24]1>>[c:2]1([I:30])[o:3][cH:4][c:5]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[n:6]1

Participants

11

Reactant 10

HCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium ion4×HCID 946NitriteHCID 962Water3×HCID 1084Thiosulfate ionHCID 6101p-Toluenesulfonic acidHCID 6342AcetonitrileHCID 30165Iodide IonHCID 319549Ethyl 2-amino-1,3-oxazole-4-carboxylate

Product 1

HCID 46910517Ethyl 2-iodooxazole-4-carboxylate

Sources & evidence

ORD record
ord-5252af4d8b34467689c15df4824e96a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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