HRID2134386

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID59389713

未命名化合物

HCID68786941

未命名化合物

PRODUCTS

生成物

结构：C#Cc1cc(CNC(=O)COc2ccc(C(C)(C)C)nc2)cc(F)c1NS(C)(=O)=O

HCID59598135

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24486fd342164ada87a4d38be55f68f8
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

[C:18]([CH3:19])([CH3:20])([CH3:21])[c:22]1[cH:23][cH:24][c:25]([O:28][CH2:29][C:30](=[O:31])[OH:32])[cH:26][n:27]1.[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:33][N:34]1[CH2:35][CH2:36][CH2:37][C:38]1=[O:39].[ClH:17].[NH2:1][CH2:2][c:3]1[cH:4][c:5]([C:15]#[CH:16])[c:6]([NH:10][S:11](=[O:12])(=[O:13])[CH3:14])[c:7]([F:9])[cH:8]1>>[NH:1]([CH2:2][c:3]1[cH:4][c:5]([C:15]#[CH:16])[c:6]([NH:10][S:11](=[O:12])(=[O:13])[CH3:14])[c:7]([F:9])[cH:8]1)[C:30]([CH2:29][O:28][c:25]1[cH:24][cH:23][c:22]([C:18]([CH3:19])([CH3:20])[CH3:21])[n:27][cH:26]1)=[O:31]