HRID301793

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

HCID74573

5-Phenyl-1-pentyne

C11H12

HCID178474749

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC(CC(C)COC(C)=O)c1ccc(C#CCCCc2ccccc2)s1

HCID178474750

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9dd25c0083ca4dae89e836a9307465c0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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