HRID313016

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+

HCID13574895

未命名化合物

结构：O=C(c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F)C1CCCCC1

HCID67270465

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(Nc1ccc(Cl)cc1C(=NOc1ccc(F)cc1)C1CCCCC1)C(F)(F)F

HCID72491672

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06207706175946e186ba3510fed1de0c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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