HRID2315603

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID30165

Iodide ion

I-

HCID66111

Trimethylsilylacetylene

C5H10Si

HCID105144

Palladium(2+)

Pd+2

HCID178526613

未命名化合物

PRODUCTS

产物

HCID178504188

3-(3-nitrophenyl)-4-[(trimethylsilyl)ethynyl]-1H-pyrazole

C14H15N3O2Si

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-efc97c5b35ce4777ad520c61d8d77f93
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

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