HRID2336862

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID11335

2,6-Dimethylphenol

C8H10O

结构：Cc1cc(Br)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-]

HCID49777916

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-]

HCID49777917

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc75631139c845b783f192f202e55f97
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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