HRID944773

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID24648

Sulfuryl chloride

Cl2O2S

HCID93363

2-(1-Methylpyrrolidin-2-yl)ethan-1-ol

C7H15NO

HCID18446568

未命名化合物

HCID44627019

未命名化合物

PRODUCTS

生成物

HCID18446567

4-Bromo-3-[2-(1-methyl-2-pyrrolidinyl)ethoxy]benzeneacetonitrile

C15H19BrN2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d4cb4e630ec4b6793b2276f929f0581
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:3][c:4]1[c:5]([OH:13])[cH:6][c:7]([CH2:10][C:11]#[N:12])[cH:8][cH:9]1.[CH3:14][N:15]1[CH:16]([CH2:20][CH2:21][O:22][S:23]([CH3:24])(=[O:25])=[O:26])[CH2:17][CH2:18][CH2:19]1.[CH3:27][N:28]1[CH2:29][CH2:30][CH2:31][CH:32]1[CH2:33][CH2:34][OH:35].[CH3:42][OH:43].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:54][S:55]([CH3:56])=[O:57].[CH4:41].[Cl:44][CH2:45][Cl:46].[K+:2].[OH-:1].[S:36]([Cl:37])([Cl:38])(=[O:39])=[O:40]>>[Br:3][c:4]1[c:5]([O:13][CH2:21][CH2:20][CH:16]2[N:15]([CH3:14])[CH2:19][CH2:18][CH2:17]2)[cH:6][c:7]([CH2:10][C:11]#[N:12])[cH:8][cH:9]1