HRID88640

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6328

Methyl iodide

CH3I

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

结构：CCC1c2cc(F)ccc2-c2cc(Br)ccc2N1S(=O)(=O)c1ccc(OC)cc1

HCID22482341

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCC1c2cc(F)ccc2-c2cc(C)ccc2N1S(=O)(=O)c1ccc(OC)cc1

HCID22482290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9434acd3e51492e93b51f52c70d21a9
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

[Br:1][c:2]1[cH:3][c:4]2[c:13]([cH:14][cH:15]1)[N:12]([S:16](=[O:17])(=[O:18])[c:19]1[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]1)[CH:11]([CH2:27][CH3:28])[c:10]1[c:5]-2[cH:6][cH:7][c:8]([F:29])[cH:9]1.[CH2:30]([Li:31])[CH2:32][CH2:33][CH3:34].[CH3:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40].[Cl-:45].[ClH:43].[I:41][CH3:42].[Na+:44].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1>>[c:2]1([CH3:30])[cH:3][c:4]2[c:13]([cH:14][cH:15]1)[N:12]([S:16](=[O:17])(=[O:18])[c:19]1[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]1)[CH:11]([CH2:27][CH3:28])[c:10]1[c:5]-2[cH:6][cH:7][c:8]([F:29])[cH:9]1