HRID956768

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

HCID94459

1-(2-Pyridinyl)piperazine

C9H13N3

HCID10631792

未命名化合物

PRODUCTS

生成物

结构：C(#Cc1cnc2ccccc2c1)CCN1CCN(c2ccccn2)CC1

HCID9949947

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ce86b4bc1d742e3b334699edef43632
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

[C:42](=[O:43])([OH:44])[O-:45].[CH3:25][S:26](=[O:27])(=[O:28])[Cl:29].[CH3:47][N:48]([CH3:49])[c:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1.[CH:16]([N:17]([CH2:18][CH3:19])[CH:20]([CH3:21])[CH3:22])([CH3:23])[CH3:24].[Cl:56][CH2:57][Cl:58].[Na+:46].[n:1]1[cH:2][c:3]([C:11]#[C:12][CH2:13][CH2:14][OH:15])[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[n:30]1[c:31]([N:36]2[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]2)[cH:32][cH:33][cH:34][cH:35]1>>[n:1]1[cH:2][c:3]([C:11]#[C:12][CH2:13][CH2:14][N:39]2[CH2:38][CH2:37][N:36]([c:31]3[n:30][cH:35][cH:34][cH:33][cH:32]3)[CH2:41][CH2:40]2)[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12