HRID1142645

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID946

Nitrite ion

NO2-

HCID961

Hydroxide

HO-

HCID962

Water

H2O

3 次

HCID1119

Sulfur dioxide

O2S

HCID592849

Methyl 2-amino-6-chlorobenzoate

C8H8ClNO2

HCID15934075

4-Methyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione

C8H7NO3S

HCID20488465

Methyl 2-chloro-6-(chlorosulfonyl)benzoate

C8H6Cl2O4S

PRODUCTS

生成物

HCID15567171

4-Chloro-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione

C7H4ClNO3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ecef3ee9e10478f9e11367e4f126842
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[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]