HRID2339364

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID66111

Trimethylsilylacetylene

C5H10Si

HCID83717

Copper iodide (CuI2)

CuI2

结构：O=[N+]([O-])c1cccc(-c2nc(OS(=O)(=O)C(F)(F)F)cc3cccnc23)c1

HCID10810934

未命名化合物

PRODUCTS

生成物

结构：C[Si](C)(C)C#Cc1cc2cccnc2c(-c2cccc([N+](=O)[O-])c2)n1

HCID23284637

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6ac891bb9664748b3f6a7e84a42842a
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

[C:28](#[CH:29])[Si:30]([CH3:31])([CH3:32])[CH3:33].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[Cu:71]([I:72])[I:73].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][c:9]2[cH:10][cH:11][cH:12][n:13][c:14]2[c:15](-[c:17]2[cH:18][c:19]([N+:23](=[O:24])[O-:25])[cH:20][cH:21][cH:22]2)[n:16]1)(=[O:26])=[O:27].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[c:7]1([C:29]#[C:28][Si:30]([CH3:31])([CH3:32])[CH3:33])[cH:8][c:9]2[cH:10][cH:11][cH:12][n:13][c:14]2[c:15](-[c:17]2[cH:18][c:19]([N+:23](=[O:24])[O-:25])[cH:20][cH:21][cH:22]2)[n:16]1