HRID103217

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6826

Methyl N-methylanthranilate

C9H11NO2

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

HCID57942077

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccccc1N(C)C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

HCID57942232

2-{[5-Chloro-3-(4-chloro-3-trifluoromethyl-benzenesulfonylamino)-pyridine-2-carbonyl]-methyl-amino}-benzoic acid methyl ester

C22H16Cl2F3N3O5S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db915bbaa666489e989405d7bea7c5c0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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