Hydrochloric Acid → 2-Benzo[1,3]dioxol-5-ylmethyl-4-hydroxy-1,1-dioxo-1,2-dihydro-1lambda6-benzo[e][1,2]thiazine-3-carboxylic acid methyl ester

Reaction equation

[Cl:23][CH2:24][C:25](=[O:26])[O:27][CH3:28].[ClH:31].[H-:29].[Na+:30].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH2:10][N:11]1[S:12](=[O:21])(=[O:22])[c:13]3[c:14]([cH:17][cH:18][cH:19][cH:20]3)[C:15]1=[O:16])[cH:9]2>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH2:10][N:11]1[S:12](=[O:21])(=[O:22])[c:13]3[c:14]([cH:17][cH:18][cH:19][cH:20]3)[C:15]([OH:16])=[C:24]1[C:25](=[O:26])[O:27][CH3:28])[cH:9]2

Participants

Reactant 5

HCID 313Hydrochloric Acid

HCID 923Sodium Ion

HCID 7295Methyl chloroacetate

HCID 166653Hydride

HCID 64639312-(1,3-Benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one

Product 1

HCID 700589382-Benzo[1,3]dioxol-5-ylmethyl-4-hydroxy-1,1-dioxo-1,2-dihydro-1lambda6-benzo[e][1,2]thiazine-3-carboxylic acid methyl ester

Sources & evidence

ORD record: ord-a3ce98ab893748d3aefff1392e1a028b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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