HRID312669

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID10821

Phenylacetylene

C8H6

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID24350

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

CuI

HCID81531

Diisopropylethylamine

C8H19N

HCID22479945

3-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole-5-carbonitrile

C13H12BrN3O

PRODUCTS

生成物

结构：N#Cc1ccc2c(c1)c(C#Cc1ccccc1)nn2C1CCCCO1

HCID22480123

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad8c09e6b06740cc99e10b8b4c8db26b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[n:3][n:4]([CH:13]2[O:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[c:5]2[cH:6][cH:7][c:8]([C:11]#[N:12])[cH:9][c:10]12.[CH3:79][C:80]#[N:81].[CH:19]([N:20]([CH:21]([CH3:22])[CH3:23])[CH2:24][CH3:25])([CH3:26])[CH3:27].[Cu:77][I:78].[Pd:36]([Cl:37])[Cl:38].[c:28]1([C:34]#[CH:35])[cH:29][cH:30][cH:31][cH:32][cH:33]1.[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[c:2]1([C:35]#[C:34][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[n:3][n:4]([CH:13]2[O:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[c:5]2[cH:6][cH:7][c:8]([C:11]#[N:12])[cH:9][c:10]12