HRID832023

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID16376

Pyrazole, 4-nitro-

C3H3N3O2

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID83717

Copper iodide (CuI2)

CuI2

HCID104967

Cesium(1+)

Cs+

2 次

HCID551074

N,N'-Dimethyl-1,2-cyclohexanediamine

C8H18N2

结构：CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2Br)cc1

HCID57942597

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2-n2cc([N+](=O)[O-])cn2)cc1

HCID68464085

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c43cfdcf23644d1a0152709ec846047
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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