HRID818687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID6342

Acetonitrile

C2H3N

HCID20785440

未命名化合物

HCID21100237

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

C11H14O5S

PRODUCTS

生成物

结构：Cc1nc2cc(N3CCN(C(=O)c4cc(S(C)(=O)=O)ccc4OC(C)C)CC3)ccc2s1

HCID58906308

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d5742bff163419e8004ec893bf27663
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

[CH3:2][c:3]1[s:4][c:5]2[c:6]([n:7]1)[cH:8][c:9]([N:12]1[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]1)[cH:10][cH:11]2.[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]>>[CH3:2][c:3]1[s:4][c:5]2[c:6]([n:7]1)[cH:8][c:9]([N:12]1[CH2:13][CH2:14][N:15]([C:24]([c:23]3[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]3)=[O:25])[CH2:16][CH2:17]1)[cH:10][cH:11]2