HRID2316832

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID24638

Chlorosulfuric acid

HClO3S

HCID81531

Diisopropylethylamine

C8H19N

HCID21875413

4-Amino-2-chloro-3-methylbenzonitrile

C8H7ClN2

HCID22669281

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)C1C(O)CCN1S(=O)(=O)Nc1ccc(C#N)c(Cl)c1C

HCID69033882

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ee9c55dd13db4a3187b3bc6c8fe025df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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