HRID2161477

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID5943

Carbon tetrachloride

CCl4

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID31275

1,4-Dioxane

C4H8O2

HCID61850

Ruthenium chloride (RuCl3)

Cl3Ru

HCID167232

Periodate ion

IO4-

结构：O=[N+]([O-])c1cc2c(cc1Br)-c1cc(Br)c([N+](=O)[O-])cc1S2=O

HCID15885909

未命名化合物

结构：O=[N+]([O-])c1cc2c(cc1Br)-c1cc(Br)ccc1S2=O

HCID15885910

未命名化合物

PRODUCTS

生成物

结构：O=[N+]([O-])c1cc2c(cc1Br)-c1cc(Br)c([N+](=O)[O-])cc1S2(=O)=O

HCID4571975

Dibenzothiophene, 2,8-dibromo-3,7-dinitro-, 5,5-dioxide

C12H4Br2N2O6S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac23fea5b31b4727b0f52dd93779fcdd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:18][c:19]1[N+:20](=[O:21])[O-:22])[S:6](=[O:17])[c:7]1[c:8]-2[cH:9][c:10]([Br:16])[c:11]([N+:13](=[O:14])[O-:15])[cH:12]1.[Br:23][c:24]1[c:25]([N+:26]([O-:27])=[O:28])[cH:29][c:30]2[c:40]([cH:41]1)-[c:39]1[c:32]([cH:33][cH:34][c:35]([Br:37])[cH:38]1)[S:31]2=[O:36].[C:67]([Cl:68])([Cl:69])([Cl:70])[Cl:71].[CH3:58][C:59]#[N:60].[I+3:42]([O-:43])([O-:44])([O-:45])[O-:46].[Na+:47].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[O:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1.[OH2:52].[Ru:48]([Cl:49])([Cl:50])[Cl:51]>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:18][c:19]1[N+:20](=[O:21])[O-:22])[S:6](=[O:17])(=[O:36])[c:7]1[c:8]-2[cH:9][c:10]([Br:16])[c:11]([N+:13](=[O:14])[O-:15])[cH:12]1