HRID298097

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

结构：COc1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])NC(=O)C3(C)C)cc1

HCID23092680

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])N(C(=O)Oc2ccc([N+](=O)[O-])cc2)C(=O)C3(C)C)cc1

HCID86601808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9de688e3bc9648baa211e370b3dd30df
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

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