HRID206595

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID24350

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

CuI

HCID138823

Cyclopropylacetylene

C5H6

HCID521585

Tri(2-furyl)phosphine

C12H9O3P

结构：CC(Nc1nc2c(I)c[nH]c(=O)c2c2cc(Br)ccc12)C(C)(C)C

HCID59375664

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1nc2c(C#CC3CC3)c[nH]c(=O)c2c2cc(Br)ccc12)C(C)(C)C

HCID59375684

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f41784b6593b47449ae757576c40f551
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([NH:16][CH:17]([C:18]([CH3:19])([CH3:20])[CH3:21])[CH3:22])[n:7][c:8]3[c:9]([I:15])[cH:10][nH:11][c:12](=[O:14])[c:13]23)[cH:23][cH:24]1.[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH:41]([NH:42][CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[CH:48]1([C:51]#[CH:52])[CH2:49][CH2:50]1.[Cu:53][I:54].[o:25]1[cH:26][cH:27][cH:28][c:29]1[P:30]([c:31]1[o:32][cH:33][cH:34][cH:35]1)[c:36]1[o:37][cH:38][cH:39][cH:40]1>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([NH:16][CH:17]([C:18]([CH3:19])([CH3:20])[CH3:21])[CH3:22])[n:7][c:8]3[c:9]([C:52]#[C:51][CH:48]4[CH2:49][CH2:50]4)[cH:10][nH:11][c:12](=[O:14])[c:13]23)[cH:23][cH:24]1