HRID1556874

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID24350

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

CuI

结构：C#Cc1ccc(C(=O)NC(CCC(=O)OC)C(=O)OC)cc1

HCID15024199

未命名化合物

HCID178418587

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCC(NC(=O)c1ccc(C#Cn2cnc3nc(NC(=O)C(C)(C)C)cc-3c2O)cc1)C(=O)OC

HCID178500519

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a8ebbca8614492eb18a133cf24f2a7d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:19](#[CH:20])[c:21]1[cH:22][cH:23][c:24]([C:25](=[O:26])[NH:27][CH:28]([CH2:29][CH2:30][C:31](=[O:32])[O:33][CH3:34])[C:35](=[O:36])[O:37][CH3:38])[cH:39][cH:40]1.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cu:54][I:55].[I:1][n:2]1[cH:3][n:4][c:5]2[n:11][c:10]([NH:12][C:13]([C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18])[cH:9][c:6]-2[c:7]1[OH:8].[OH2:48]>>[n:2]1([C:20]#[C:19][c:21]2[cH:22][cH:23][c:24]([C:25](=[O:26])[NH:27][CH:28]([CH2:29][CH2:30][C:31](=[O:32])[O:33][CH3:34])[C:35](=[O:36])[O:37][CH3:38])[cH:39][cH:40]2)[cH:3][n:4][c:5]2[n:11][c:10]([NH:12][C:13]([C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18])[cH:9][c:6]-2[c:7]1[OH:8]