HRID1558186

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8021

Diethylamine

C4H11N

HCID83717

Copper iodide (CuI2)

CuI2

HCID22904935

tert-Butyl pent-4-yn-1-ylcarbamate

C10H17NO2

HCID67235651

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NC(=O)c2ccc(N)c(C#CCCCNC(=O)OC(C)(C)C)c2)cc1OC

HCID67235527

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-042a09d509fd44f49f93cad973d737f0
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH2:9][CH2:10][C:11]#[CH:12])=[O:13].[CH2:38]([NH:39][CH2:40][CH3:41])[CH3:42].[Cu:35]([I:36])[I:37].[NH2:14][c:15]1[c:16]([I:34])[cH:17][c:18]([C:19](=[O:20])[NH:21][c:22]2[cH:23][c:24]([O:30][CH3:31])[c:25]([O:28][CH3:29])[cH:26][cH:27]2)[cH:32][cH:33]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH2:9][CH2:10][C:11]#[C:12][c:16]1[c:15]([NH2:14])[cH:33][cH:32][c:18]([C:19](=[O:20])[NH:21][c:22]2[cH:23][c:24]([O:30][CH3:31])[c:25]([O:28][CH3:29])[cH:26][cH:27]2)[cH:17]1)=[O:13]