HRID1123143

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID67164

Thiamorpholine

C4H9NS

结构：COc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1OC

HCID9914905

未命名化合物

PRODUCTS

生成物

结构：COc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)Nc2ccc(S(=O)(=O)N3CCSCC3)cc2)cc1OC

HCID9960542

S-3448

C25H26ClN3O7S3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b81dab71bb349c291df668dda53c8e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:36]1[CH2:37][S:38][CH2:39][CH2:40][NH:41]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[c:13]([C:14](=[O:15])[NH:16][c:17]3[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[F:26])[cH:21][cH:22]3)[cH:27][c:28]([O:33][CH3:34])[c:29]([O:31][CH3:32])[cH:30]2)[cH:6][cH:7]1.[ClH:35]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[c:13]([C:14](=[O:15])[NH:16][c:17]3[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[N:41]4[CH2:36][CH2:37][S:38][CH2:39][CH2:40]4)[cH:21][cH:22]3)[cH:27][c:28]([O:33][CH3:34])[c:29]([O:31][CH3:32])[cH:30]2)[cH:6][cH:7]1