HRID2350519

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID947

Nitrogen

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID83717

Copper iodide (CuI2)

CuI2

HCID138823

Cyclopropylacetylene

C5H6

结构：COc1ccc(CON=C(c2ccccc2)c2nnnn2C)nc1Br

HCID86653120

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：COc1ccc(CON=C(c2ccccc2)c2nnnn2C)nc1C#CC1CC1

HCID86653119

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f85941f9f5146e2823670cfb001ab21
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[c:3]([O:24][CH3:25])[cH:4][cH:5][c:6]([CH2:8][O:9][N:10]=[C:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[n:19][n:20][n:21][n:22]2[CH3:23])[n:7]1.[CH2:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH:38]([CH3:39])[CH3:40])[CH3:41].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[CH:28]1([C:31]#[CH:32])[CH2:29][CH2:30]1.[Cu:53]([I:54])[I:55].[N:26]#[N:27].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[c:2]1([C:32]#[C:31][CH:28]2[CH2:29][CH2:30]2)[c:3]([O:24][CH3:25])[cH:4][cH:5][c:6]([CH2:8][O:9][N:10]=[C:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[n:19][n:20][n:21][n:22]2[CH3:23])[n:7]1