HRID189136

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID5943

Carbon tetrachloride

CCl4

HCID97895

1-Ethoxyethyl acetate

C6H12O3

结构：C=C(C)C(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)C(NC(=O)Cc2ccccc2)C1SS(=O)(=O)c1ccccc1

HCID13530981

未命名化合物

PRODUCTS

生成物

结构：C=C(CCl)C(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)C(NC(=O)Cc2ccccc2)C1SS(=O)(=O)c1ccccc1

HCID15702741

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4ea9fd59e8e48bea37fcdf4386fd4da
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:44]([Cl:45])([Cl:46])([Cl:47])[Cl:48].[C:49]([O:50][CH:51]([O:52][CH2:53][CH3:54])[CH3:55])(=[O:56])[CH3:57].[OH2:43].[c:1]1([CH2:7][C:8](=[O:9])[NH:10][CH:11]2[C:12](=[O:42])[N:13]([CH:25]([C:26](=[O:27])[O:28][CH2:29][c:30]3[cH:31][cH:32][c:33]([N+:36](=[O:37])[O-:38])[cH:34][cH:35]3)[C:39](=[CH2:40])[CH3:41])[CH:14]2[S:15][S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][C:8](=[O:9])[NH:10][CH:11]2[C:12](=[O:42])[N:13]([CH:25]([C:26](=[O:27])[O:28][CH2:29][c:30]3[cH:31][cH:32][c:33]([N+:36](=[O:37])[O-:38])[cH:34][cH:35]3)[C:39](=[CH2:40])[CH2:41][Cl:45])[CH:14]2[S:15][S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1