HRID165455

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)c(-c2ccc([N+](=O)[O-])cc2)n1

HCID68996616

未命名化合物

结构：O=Cc1ccc(-c2cc3c(Br)cccc3n2S(=O)(=O)c2ccccc2)cc1

HCID86613324

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1cc(-c2cccc3c2cc(-c2ccc(C=O)cc2)n3S(=O)(=O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1

HCID86613326

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e393c1c34d3240a8ba54fd6bea1d665e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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