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

HRID 1563736Notes

Reaction equation

HRID 1563736 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].[CH3:43][C:44](=[O:45])[OH:46].[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].[ClH:47].[N:26]([O-:27])=[O:28].[NH4+:41].[Na+:29].[O:33]=[S:34]=[O:35].[OH-:42].[OH2:30].[OH2:31].[OH2:48].[S:36]([Cl:37])([Cl:38])(=[O:39])=[O:40]>>[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 24648Sulfuryl chlorideHCID 592849Methyl 2-amino-6-chlorobenzoateHCID 159340754-Methyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione

Product 1

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

Sources & evidence

ORD record
ord-0f28f71e5e6f40c78097b9d14d34e12b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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