Acetic Acid → 4-Chloro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione

HRID 1142645Notes

Reaction equation

HRID 1142645 reaction equation
[CH3:1][c:2]1[c:3]2[c:9]([cH:10][cH:11][cH:12]1)[S:6](=[O:7])(=[O:8])[NH:5][C:4]2=[O:13].[CH3:53][C:54](=[O:55])[OH:56].[Cl-:32].[Cl:14][c:15]1[cH:16][cH:17][cH:18][c:19]([NH2:20])[c:21]1[C:22]([O:23][CH3:24])=[O:25].[Cl:36][S:37]([c:38]1[cH:39][cH:40][cH:41][c:42]([Cl:43])[c:44]1[C:45]([O:46][CH3:47])=[O:48])(=[O:49])=[O:50].[ClH:57].[N:26]([O-:27])=[O:28].[NH4+:51].[Na+:29].[O:33]=[S:34]=[O:35].[OH-:52].[OH2:30].[OH2:31].[OH2:58]>>[c:2]1([Cl:14])[c:3]2[c:9]([cH:10][cH:11][cH:12]1)[S:6](=[O:7])(=[O:8])[NH:5][C:4]2=[O:13]

Participants

13

Reactant 12

HCID 176Acetic AcidHCID 223AmmoniumHCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 946NitriteHCID 961HydroxideHCID 962Water3×HCID 1119Sulfur DioxideHCID 592849Methyl 2-amino-6-chlorobenzoateHCID 159340754-Methyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trioneHCID 20488465Methyl 2-chloro-6-(chlorosulfonyl)benzoate

Product 1

HCID 155671714-Chloro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione

Sources & evidence

ORD record
ord-6ecef3ee9e10478f9e11367e4f126842
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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