HRID675619

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID21886617

未命名化合物

结构：CSc1sc(C(=N)NC(=O)OC(C)(C)C)cc1S(=O)(=O)c1cccc(-c2c(C)cccc2N)c1

HCID145857623

未命名化合物

PRODUCTS

生成物

结构：CSc1sc(C(=N)NC(=O)OC(C)(C)C)cc1S(=O)(=O)c1cccc(-c2c(C)cccc2NC(=O)CCCS(C)(=O)=O)c1

HCID145857696

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8aef8303b9c6404693dc8a4d64e454f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16]([NH:17][C:18](=[NH:19])[c:20]1[s:21][c:22]([S:42][CH3:43])[c:23]([S:25](=[O:26])(=[O:27])[c:28]2[cH:29][c:30](-[c:34]3[c:35]([NH2:41])[cH:36][cH:37][cH:38][c:39]3[CH3:40])[cH:31][cH:32][cH:33]2)[cH:24]1)=[O:44].[CH3:1][S:2](=[O:3])(=[O:4])[CH2:5][CH2:6][CH2:7][C:8](=[O:9])[Cl:10].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[Cl:52][CH2:53][Cl:54]>>[CH3:1][S:2](=[O:3])(=[O:4])[CH2:5][CH2:6][CH2:7][C:8](=[O:9])[NH:41][c:35]1[c:34](-[c:30]2[cH:29][c:28]([S:25]([c:23]3[c:22]([S:42][CH3:43])[s:21][c:20]([C:18]([NH:17][C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:44])=[NH:19])[cH:24]3)(=[O:26])=[O:27])[cH:33][cH:32][cH:31]2)[c:39]([CH3:40])[cH:38][cH:37][cH:36]1