HRID208320

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID6422

未命名化合物

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

HCID145857667

未命名化合物

PRODUCTS

生成物

HCID6422

未命名化合物

结构：CSc1sc(C(=N)N)cc1S(=O)(=O)c1cccc(-c2c(C)cccc2NC(=O)CCCNS(=O)(=O)C(F)(F)F)c1

HCID21057186

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-522714053cd94147bfacad7b8b62d3f2
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:12]([O:13][C:14](=[O:15])[NH:18][C:19]([c:20]1[s:21][c:22]([S:55][CH3:56])[c:23]([S:25](=[O:26])(=[O:27])[c:28]2[cH:29][c:30](-[c:34]3[c:35]([NH:41][C:42]([CH2:43][CH2:44][CH2:45][NH:46][S:47](=[O:48])(=[O:49])[C:50]([F:51])([F:52])[F:53])=[O:54])[cH:36][cH:37][cH:38][c:39]3[CH3:40])[cH:31][cH:32][cH:33]2)[cH:24]1)=[NH:57])([CH3:16])([CH3:17])[CH3:58].[CH:8]([Cl:9])([Cl:10])[Cl:11].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]>>[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[NH:18]=[C:19]([c:20]1[s:21][c:22]([S:55][CH3:56])[c:23]([S:25](=[O:26])(=[O:27])[c:28]2[cH:29][c:30](-[c:34]3[c:35]([NH:41][C:42]([CH2:43][CH2:44][CH2:45][NH:46][S:47](=[O:48])(=[O:49])[C:50]([F:51])([F:52])[F:53])=[O:54])[cH:36][cH:37][cH:38][c:39]3[CH3:40])[cH:31][cH:32][cH:33]2)[cH:24]1)[NH2:57]