HRID112126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：Cc1c(-c2ccccc2)c(N2CCC(N(C)C)C2)c2oc(N)nc2c1C#N

HCID68585166

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccccc2)c(N2CCC(N(C)C)C2)c2oc(NS(C)(=O)=O)nc2c1C#N

HCID77526453

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85738ea6a88f4357bd218490c77b0306
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

[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:35][S:36]([Cl:37])(=[O:38])=[O:39].[Cl:42][CH2:43][Cl:44].[NH2:1][c:2]1[o:3][c:4]2[c:5]([n:6]1)[c:7]([C:26]#[N:27])[c:8]([CH3:25])[c:9](-[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[c:10]2[N:11]1[CH2:12][CH:13]([N:16]([CH3:17])[CH3:18])[CH2:14][CH2:15]1.[Na+:41].[OH-:40].[OH2:45]>>[NH:1]([c:2]1[o:3][c:4]2[c:5]([n:6]1)[c:7]([C:26]#[N:27])[c:8]([CH3:25])[c:9](-[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[c:10]2[N:11]1[CH2:12][CH:13]([N:16]([CH3:17])[CH3:18])[CH2:14][CH2:15]1)[S:36]([CH3:35])(=[O:38])=[O:39]