HRID121187

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID79288

4-Bromo-3-nitroanisole

C7H6BrNO3

结构：COc1ccc2c(c1)CC(C)(C)C(c1ccc(OC)cc1[N+](=O)[O-])=C2

HCID23087432

未命名化合物

HCID23087570

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2=Cc3ccc(OC)cc3CC2(C)C)c(N)c1

HCID23087320

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dfeb6effb6cd48b4bef961961a912d18
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

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