HRID698293

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID79885

tert-Butoxy bis(dimethylamino)methane

C9H22N2O

结构：Cc1cc(Br)cc(C)c1Sc1nc(Nc2ccc(C#N)cc2)nc(C)c1[N+](=O)[O-]

HCID57747348

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Br)cc(C)c1Sc1nc(Nc2ccc(C#N)cc2)nc(C=CN(C)C)c1[N+](=O)[O-]

HCID91556002

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-304b23ef91e9451aa1cc3647a9a0b859
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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