HRID2328268

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl Acetate

C4H8O2

HCID10264015

6-chloro-2-piperazin-1-yl-quinoline

C13H14ClN3

HCID21100237

2-(1-Methylethoxy)-5-(methylsulfonyl)benzoic acid

C11H14O5S

PRODUCTS

产物

HCID58906313

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-039cae09fa164129922f781bc278c65d
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

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