HRID300571

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID226685

6-bromo-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene

C14H19Br

HCID595901

4-Amino-3-nitrobenzonitrile

C7H5N3O2

HCID4574913

未命名化合物

HCID17861061

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CCC(C)(C)c2cc(Nc3ccc(C#N)cc3[N+](=O)[O-])ccc21

HCID59295101

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9dd07ec87e9641309b902eee34aa6626
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8]([CH3:12])([CH3:13])[CH2:7][CH2:6][C:5]2([CH3:14])[CH3:15].[C:34]([PH:35][c:36]1[cH:37][cH:38][cH:39][cH:40][c:41]1-[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)([CH3:48])([CH3:49])[CH3:50].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:28][C:29]([CH3:30])([O-:31])[CH3:32].[NH2:16][c:17]1[c:18]([N+:25](=[O:26])[O-:27])[cH:19][c:20]([C:21]#[N:22])[cH:23][cH:24]1.[Na+:33]>>[c:2]1([NH:16][c:17]2[c:18]([N+:25](=[O:26])[O-:27])[cH:19][c:20]([C:21]#[N:22])[cH:23][cH:24]2)[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8]([CH3:12])([CH3:13])[CH2:7][CH2:6][C:5]2([CH3:14])[CH3:15]