HRID2136584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID13965008

tert-Butyl 4-ethynylbenzoate

C13H14O2

HCID53931587

未命名化合物

HCID178506583

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(C#Cc2cnccc2C=Cc2ccccc2)cc1

HCID54016878

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8be2059b15254e0c99af7398396a773a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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