HRID141213

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

HCID16785149

未命名化合物

HCID57501467

未命名化合物

HCID68804332

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)COc1cc(F)c(C(C)(C)C)c(F)c1)c1ccc(NS(C)(=O)=O)cc1

HCID11854281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f58c7b6b796e47ec97f773bd68e1bab4
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

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