HRID170716

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID887

Methanol

CH4O

HCID6212

Chloroform

CHCl3

HCID23938

Palladium

结构：CC(C)(C)OC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1NC(=O)c1cncc(-c2ccccc2)c1

HCID58508723

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(-c2ccccc2N)cc1NC(=O)c1cncc(-c2ccccc2)c1

HCID58508762

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ae53ff5f1cc4880b43fbc4871ae4114
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

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