HRID1205618

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID53414981

3-(6-Bromopyridin-3-yl)prop-2-enoic acid

C8H6BrNO2

HCID59389713

未命名化合物

PRODUCTS

生成物

结构：C#Cc1cc(CNC(=O)C=Cc2ccc(Br)nc2)cc(F)c1NS(C)(=O)=O

HCID72335666

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09db9fcdad8a4997aa99e2d5909dec01
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:25][c:26]1[cH:27][cH:28][c:29]([CH:32]=[CH:33][C:34](=[O:35])[OH:36])[cH:30][n:31]1.[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[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:34]([CH:33]=[CH:32][c:29]1[cH:28][cH:27][c:26]([Br:25])[n:31][cH:30]1)=[O:35]