HRID143402

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID10821

Phenylacetylene

C8H6

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID30165

Iodide ion

I-

结构：COc1cc(-c2cnc3[nH]cc(I)c3n2)cc(OC)c1OC

HCID59540518

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2cnc3[nH]cc(C#Cc4ccccc4)c3n2)cc(OC)c1OC

HCID59540554

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5829c4590aea4bd89092c67b553800d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:24](#[CH:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:80][N:81]([CH3:82])[CH:83]=[O:84].[I-:23].[I:1][c:2]1[cH:3][nH:4][c:5]2[n:6][cH:7][c:8](-[c:11]3[cH:12][c:13]([O:21][CH3:22])[c:14]([O:19][CH3:20])[c:15]([O:17][CH3:18])[cH:16]3)[n:9][c:10]12.[Pd:39]([Cl:40])[Cl:41].[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1.[c:61]1([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)[cH:75][cH:76][cH:77][cH:78][cH:79]1>>[c:2]1([C:25]#[C:24][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:3][nH:4][c:5]2[n:6][cH:7][c:8](-[c:11]3[cH:12][c:13]([O:21][CH3:22])[c:14]([O:19][CH3:20])[c:15]([O:17][CH3:18])[cH:16]3)[n:9][c:10]12