HRID104959

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCC(=C(c1ccccc1)c1ccc(C=CC(=O)O)cc1)c1ccccc1

HCID132994

未命名化合物

HCID138510

2-Nitrobenzenesulphonamide

C6H6N2O4S

PRODUCTS

生成物

结构：CCC(=C(c1ccccc1)c1ccc(C=CC(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccccc1

HCID69781207

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4fef213c58244a99455798119003917
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

[N+:28](=[O:29])([O-:30])[c:31]1[c:32]([S:37](=[O:38])(=[O:39])[NH2:40])[cH:33][cH:34][cH:35][cH:36]1.[c:1]1([C:7](=[C:8]([CH2:9][CH3:10])[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17]2[cH:18][cH:19][c:20]([CH:23]=[CH:24][C:25](=[O:26])[OH:27])[cH:21][cH:22]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7](=[C:8]([CH2:9][CH3:10])[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17]2[cH:18][cH:19][c:20]([CH:23]=[CH:24][C:25](=[O:26])[NH:40][S:37]([c:32]3[c:31]([N+:28](=[O:29])[O-:30])[cH:36][cH:35][cH:34][cH:33]3)(=[O:38])=[O:39])[cH:21][cH:22]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1