HRID141728

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

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID3712746

Benzenesulfonamide, 4-methyl-N-2-propynyl-

C10H11NO2S

结构：COc1cc[nH]c1C=C1C(=O)Nc2ccc(F)c(I)c21

HCID53974358

未命名化合物

PRODUCTS

生成物

结构：COc1cc[nH]c1C=C1C(=O)Nc2ccc(F)c(C#CCNS(=O)(=O)c3ccc(C)cc3)c21

HCID54424038

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6721147eb5f44d5b6ecff7fd5bdc145
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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