Sodium ion → N-methylbenzothiazolone

HRID 140610

Reaction equation

HRID 140610 reaction equation
[CH3:13][O:14][S:15]([O-:16])(=[O:17])=[O:18].[Na+:12].[OH-:11].[OH2:19].[S:1]1(=[O:10])[CH2:2][NH:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[S:1]1(=[O:10])[CH2:2][N:3]([CH3:13])[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

6

Reactant 5

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 4694097Methyl sulfate(1-)HCID 451217052,3-Dihydro-1,3-benzothiazole 1-oxide

Product 1

HCID 20026384N-methylbenzothiazolone

Sources & evidence

ORD record
ord-43ba18c72f034b7bb823ffa29a8fc79c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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