HRID2349511

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+

HCID86230464

未命名化合物

HCID86230476

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(Nc1ccc(Cl)cc1C=NOCc1ccc(C(F)(F)F)cc1C(F)(F)F)C(F)(F)F

HCID86604006

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf07678692f24d26b0bc46935cbf5f9e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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