HRID148539

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID923

Sodium ion

Na+

HCID87946

p-Toluenesulphonyl cyanide

C8H7NO2S

结构：C=C(C)C(C(=O)OC)N1C(=O)C(NC(=O)Cc2ccccc2)C1SSc1nc2ccccc2s1

HCID12293966

未命名化合物

HCID19594619

未命名化合物

PRODUCTS

生成物

结构：C=C(C)C(C(=O)OC)N1C(=O)C(NC(=O)Cc2ccccc2)C1SS(=O)(=O)c1ccc(C)cc1

HCID13530973

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c339f8d156e4a26b8ff80404cfad85b
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

[CH3:58][C:59](=[O:60])[CH3:61].[Na+:57].[c:1]1([CH2:7][C:8](=[O:9])[NH:10][CH:11]2[C:12](=[O:34])[N:13]([CH:26]([C:27](=[O:28])[O:29][CH3:30])[C:31](=[CH2:32])[CH3:33])[CH:14]2[S:15][S:16][c:17]2[s:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]3[n:25]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:35]1([CH3:46])[cH:36][cH:37][c:38]([S:41](=[O:42])(=[O:43])[C:44]#[N:45])[cH:39][cH:40]1.[c:47]1([CH3:48])[c:49]([S:50]([O-:51])=[O:52])[cH:53][cH:54][cH:55][cH:56]1>>[c:1]1([CH2:7][C:8](=[O:9])[NH:10][CH:11]2[C:12](=[O:34])[N:13]([CH:26]([C:27](=[O:28])[O:29][CH3:30])[C:31](=[CH2:32])[CH3:33])[CH:14]2[S:15][S:41]([c:38]2[cH:37][cH:36][c:35]([CH3:46])[cH:40][cH:39]2)(=[O:42])=[O:43])[cH:2][cH:3][cH:4][cH:5][cH:6]1