Hydrochloric Acid → 1-Methylethyl 4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide

HRID 111256

Reaction equation

HRID 111256 reaction equation
[CH:23]([OH:24])([CH3:25])[CH3:26].[ClH:21].[Na:1].[O:2]=[C:3]1[N:4]([CH2:14][C:15](=[O:16])[O:17][CH:18]([CH3:19])[CH3:20])[S:5](=[O:12])(=[O:13])[c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2.[OH2:22]>>[OH:2][C:3]1=[C:14]([C:15](=[O:16])[O:17][CH:18]([CH3:19])[CH3:20])[NH:4][S:5](=[O:12])(=[O:13])[c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 962WaterHCID 3776IsopropanolHCID 45196241,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, 1-methylethyl ester, 1,1-dioxideHCID 5360545Sodium

Product 1

HCID 546870271-Methylethyl 4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide

Sources & evidence

ORD record
ord-9f6509f1478849f9a2b43b3fa9049b2f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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