HRID828736

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID5011

Quipazine

C13H15N3

HCID6342

Acetonitrile

C2H3N

HCID21100237

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

C11H14O5S

PRODUCTS

生成物

结构：CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ccc3ccccc3n2)CC1

HCID58906321

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e51f90a831cc4771a45552c87b5306c7
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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