HRID181765

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID67271047

未命名化合物

HCID86230464

未命名化合物

PRODUCTS

生成物

结构：CC(=NOCc1ccc(C(F)(F)F)cc1C(F)(F)F)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F

HCID86603994

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc5692e156e542599d676ef5e200ce4f
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:1]([CH3:2])(=[O:3])[c:4]1[c:5]([NH:11][S:12](=[O:13])(=[O:14])[C:15]([F:16])([F:17])[F:18])[cH:6][cH:7][c:8]([Cl:10])[cH:9]1.[C:37]([O-:38])(=[O:39])[CH3:40].[CH3:42][CH2:43][OH:44].[ClH:19].[F:20][C:21]([c:22]1[c:23]([CH2:24][O:25][NH2:26])[cH:27][cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]1)([F:35])[F:36].[Na+:41]>>[C:1]([CH3:2])([c:4]1[c:5]([NH:11][S:12](=[O:13])(=[O:14])[C:15]([F:16])([F:17])[F:18])[cH:6][cH:7][c:8]([Cl:10])[cH:9]1)=[N:26][O:25][CH2:24][c:23]1[c:22]([C:21]([F:20])([F:35])[F:36])[cH:30][c:29]([C:31]([F:32])([F:33])[F:34])[cH:28][cH:27]1