HRID671598

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID24350

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

CuI

HCID15540683

Ethyl 4-ethynylbenzoate

C11H10O2

结构：COc1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1OC

HCID59811902

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(C#Cc2cn(S(=O)(=O)c3ccccc3)c3ncc(-c4ccc(OC)c(OC)c4)cc23)cc1

HCID57891743

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14cb36b7549e47379f741c868c1ce0f4
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

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