HRID2153196

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CC(C)C(=O)NC1CCc2c(c3cc(C#N)ccc3n2Cc2ccccc2N)C1

HCID57431649

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(=O)NC1CCc2c(c3cc(C#N)ccc3n2Cc2ccccc2NS(C)(=O)=O)C1

HCID59161244

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6cef633d6d5b461d94ef6793b57e5398
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:30][S:31]([Cl:32])(=[O:33])=[O:34].[Cl:46][CH2:47][Cl:48].[NH2:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]3[cH:7][cH:8][c:9]([C:24]#[N:25])[cH:10][c:11]3[c:12]3[c:17]2[CH2:16][CH2:15][CH:14]([NH:18][C:19]([CH:20]([CH3:21])[CH3:22])=[O:23])[CH2:13]3)[cH:26][cH:27][cH:28][cH:29]1.[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1>>[NH:1]([c:2]1[c:3]([CH2:4][n:5]2[c:6]3[cH:7][cH:8][c:9]([C:24]#[N:25])[cH:10][c:11]3[c:12]3[c:17]2[CH2:16][CH2:15][CH:14]([NH:18][C:19]([CH:20]([CH3:21])[CH3:22])=[O:23])[CH2:13]3)[cH:26][cH:27][cH:28][cH:29]1)[S:31]([CH3:30])(=[O:33])=[O:34]