HRID1209401

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7859

Propargyl alcohol

C3H4O

HCID8021

Diethylamine

C4H11N

HCID24350

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

CuI

结构：CC(C)Oc1ccc(NC(=O)N2CCC(c3ncnc4ccc(I)cc34)CC2)cc1

HCID58770660

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1ccc(NC(=O)N2CCC(c3ncnc4ccc(C#CCO)cc34)CC2)cc1

HCID58770651

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-934c144ed77c4e7cad8bcd66a0a3f1b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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