HRID103952

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID30165

Iodide ion

I-

HCID66111

Trimethylsilylacetylene

C5H10Si

结构：CC(C)(C)c1ccc(OS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c1

HCID23109015

4-tert-Butyl-2-nitrophenyl trifluoromethanesulfonate

C11H12F3NO5S

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(C#C[Si](C)(C)C)c([N+](=O)[O-])c1

HCID58016188

4-(1,1-Dimethylethyl)-2-nitro-1-[2-(trimethylsilyl)ethynyl]benzene

C15H21NO2Si

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cbba67d3b9b1482297268396af2b7181
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([N+:19](=[O:20])[O-:21])[c:8]([O:11][S:12]([C:13]([F:14])([F:15])[F:16])(=[O:17])=[O:18])[cH:9][cH:10]1.[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:30][Si:31]([CH3:32])([CH3:33])[C:34]#[CH:35].[CH3:77][N:78]([CH3:79])[CH:80]=[O:81].[I-:22].[Pd:36]([Cl:37])[Cl:38].[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:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([N+:19](=[O:20])[O-:21])[c:8]([C:35]#[C:34][Si:31]([CH3:30])([CH3:32])[CH3:33])[cH:9][cH:10]1