HRID111941

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID20176

Benzonitrile, 3,5-dimethyl-4-hydroxy-

C9H9NO

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

HCID49777918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8673c5fb2bf3463798e80b8b4037af79
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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][c:35]([C:39]#[N:40])[cH:36][c:37]([CH3:38])[c:41]1[OH:42]>>[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]([C:39]#[N:40])[cH:21][c:22]3[CH3:23])[cH:15]2)[cH:7][cH:8]1