HRID2162774

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID69393

3-Methoxypropyne

C4H6O

HCID83717

Copper iodide (CuI2)

CuI2

结构：CCOC(=O)c1c(Br)cc(-c2c(CC)cccc2CC)nc1C

HCID66993565

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(C#CCOC)cc(-c2c(CC)cccc2CC)nc1C

HCID66993646

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c7c1a2964a84a5e96b08144e87654df
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

[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[c:6]([CH3:22])[n:7][c:8](-[c:12]2[c:13]([CH2:20][CH3:21])[cH:14][cH:15][cH:16][c:17]2[CH2:18][CH3:19])[cH:9][c:10]1[Br:11])=[O:23].[CH2:24]([C:25]#[CH:26])[O:27][CH3:28].[CH:29]([NH:30][CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[Cu:113]([I:114])[I:115].[cH:36]1[cH:37][cH:38][c:39]([P:40]([Pd:41]([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112]1>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[c:6]([CH3:22])[n:7][c:8](-[c:12]2[c:13]([CH2:20][CH3:21])[cH:14][cH:15][cH:16][c:17]2[CH2:18][CH3:19])[cH:9][c:10]1[C:26]#[C:25][CH2:24][O:27][CH3:28])=[O:23]