HRID1131200

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

3 次

HCID961

Hydroxide

HO-

HCID75465

2-Chloropyridine 1-oxide

C5H4ClNO

HCID166653

Hydride

H-

结构：CC1(C(F)(F)F)CNc2cc(S(=O)(=O)c3ccccc3)ccc2O1

HCID21462571

未命名化合物

PRODUCTS

生成物

结构：CC1(C(F)(F)F)CN(c2cccc[n+]2[O-])c2cc(S(=O)(=O)c3ccccc3)ccc2O1

HCID10366488

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dab7274217d349fc88376b8af608bdd8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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