HRID1216591

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

HCID86625523

未命名化合物

PRODUCTS

生成物

结构：C#Cc1cc(CNC(=O)C=Cc2ccc(C(C)(C)C)nc2Br)cc(F)c1NS(C)(=O)=O

HCID74332391

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2485c8aee38946bea11d08bd19ecf5b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:18][c:19]1[n:20][c:21]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:22][cH:23][c:24]1[CH:25]=[CH:26][C:27](=[O:28])[OH:29].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:34][N:35]1[CH2:36][CH2:37][CH2:38][C:39]1=[O:40].[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:27]([CH:26]=[CH:25][c:24]1[c:19]([Br:18])[n:20][c:21]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:22][cH:23]1)=[O:28]