HRID2328687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

结构：COc1c(F)c(I)c(C)c(C(N)=O)c1NC(=O)C(C)(C)C

HCID86630832

未命名化合物

PRODUCTS

生成物

结构：COc1c(F)c(I)c(C)c(C#N)c1NC(=O)C(C)(C)C

HCID86630831

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-736aec392b034ec5be06094b90a6884d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:43][N:44]([CH3:45])[c:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:7][C:8]([C:9](=[O:10])[NH:11][c:12]1[c:13]([C:14](=[O:15])[NH2:16])[c:17]([CH3:25])[c:18]([I:24])[c:19]([F:23])[c:20]1[O:21][CH3:22])([CH3:26])[CH3:27].[F:28][C:29]([F:30])([F:31])[S:32]([O:33][S:34]([C:35]([F:36])([F:37])[F:38])(=[O:39])=[O:40])(=[O:41])=[O:42].[cH:1]1[cH:2][cH:3][n:4][cH:5][cH:6]1>>[CH3:7][C:8]([C:9](=[O:10])[NH:11][c:12]1[c:13]([C:14]#[N:16])[c:17]([CH3:25])[c:18]([I:24])[c:19]([F:23])[c:20]1[O:21][CH3:22])([CH3:26])[CH3:27]