HRID161513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6278

1,1,1-Trichloroethane

C2H3Cl3

HCID6547

Azobisisobutyronitrile

C8H12N4

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

结构：Cc1ccc(-c2ccccc2-c2nnnn2-c2ccc([N+](=O)[O-])cc2)cc1

HCID19935776

5-(4'-Methyl[1,1'-biphenyl]-2-yl)-1-(4-nitrophenyl)-1H-tetrazole

C20H15N5O2

PRODUCTS

生成物

结构：O=[N+]([O-])c1ccc(-n2nnnc2-c2ccccc2-c2ccc(CBr)cc2)cc1

HCID19935791

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a10f93b96ec8484a9d60f2c609ee875d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:28][N:29]1[C:30](=[O:31])[CH2:32][CH2:33][C:34]1=[O:35].[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:14]3[n:15][n:16][n:17][n:18]3-[c:19]3[cH:20][cH:21][c:22]([N+:25](=[O:26])[O-:27])[cH:23][cH:24]3)[cH:10][cH:11][cH:12][cH:13]2)[cH:6][cH:7]1.[CH3:48][C:49]([Cl:50])([Cl:51])[Cl:52].[N:36]([C:37]([CH3:38])([CH3:39])[C:40]#[N:41])=[N:42][C:43]([CH3:44])([CH3:45])[C:46]#[N:47]>>[CH2:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:14]3[n:15][n:16][n:17][n:18]3-[c:19]3[cH:20][cH:21][c:22]([N+:25](=[O:26])[O-:27])[cH:23][cH:24]3)[cH:10][cH:11][cH:12][cH:13]2)[cH:6][cH:7]1)[Br:28]