HRID949221

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

HCID21100228

2-(Cyclopropylmethoxy)-5-(methylsulfonyl)benzoic acid

C12H14O5S

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(OCC2CC2)c(C(=O)N2CCN(c3ccc4cc(Cl)ccc4n3)CC2)c1

HCID58906304

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-071e11d34b1549e7aed0b19aa40296e1
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

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