Methyl Ethyl Ketone → 5-[(Carbethoxymethyl)carbamoyloxy]-1,3-benzoxathiol-2-one

HRID 207379

Reaction equation

HRID 207379 reaction equation
[CH2:28]([C:29]([CH3:30])=[O:31])[CH3:32].[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[N:12](=[C:13]=[O:14])[CH2:15][C:16](=[O:17])[O:18][CH2:19][CH3:20].[OH:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([s:7][c:8](=[O:10])[o:9]2)[cH:11]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([s:7][c:8](=[O:10])[o:9]2)[cH:11]1)[C:13]([NH:12][CH2:15][C:16](=[O:17])[O:18][CH2:19][CH3:20])=[O:14]

Participants

5

Reactant 4

HCID 6569Methyl Ethyl KetoneHCID 8471TriethylamineHCID 76283Ethyl isocyanatoacetateHCID 1390671,3-Benzoxathiol-2-one, 5-hydroxy-

Product 1

HCID 130538365-[(Carbethoxymethyl)carbamoyloxy]-1,3-benzoxathiol-2-one

Sources & evidence

ORD record
ord-d4b93bc4773d4a3a917914b191f402ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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