HRID700880

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID83717

Copper iodide (CuI2)

CuI2

HCID575753

Benzene, (2-propynyl)-

C9H8

结构：CCOC(=O)COc1ccc(SCc2cc(O)cc(Br)c2)cc1C

HCID57791915

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1ccc(SCc2cc(O)cc(C#CCc3ccccc3)c2)cc1C

HCID57791926

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e45d02124654afe92500c54255a30f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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