HRID2123316

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

HCID11745958

未命名化合物

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(c2cnc3ccccc3c2)CC1

HCID58906311

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-279cd603516f473686f08fbffb530c0d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:41][C:42]#[N:43].[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[cH:9][n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[cH:17]2)[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1>>[N:2]1([c:8]2[cH:9][n:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[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