HRID671162

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID66111

Trimethylsilylacetylene

C5H10Si

HCID83717

Copper iodide (CuI2)

CuI2

HCID2737008

1-(difluoromethoxy)-4-iodobenzene

C7H5F2IO

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

HCID68699091

{[4-(Difluoromethoxy)phenyl]ethynyl}(trimethyl)silane

C12H14F2OSi

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5d0e821c4fd4cd0a0884b18e0aca1ea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:12](#[CH:13])[Si:14]([CH3:15])([CH3:16])[CH3:17].[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:25][C:26]#[N:27].[Cu:105]([I:106])[I:107].[F:1][CH:2]([O:3][c:4]1[cH:5][cH:6][c:7]([I:10])[cH:8][cH:9]1)[F:11].[cH:28]1[cH:29][cH:30][c:31]([P:32]([Pd:33]([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)([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)([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([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)[P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[cH:103][cH:104]1>>[F:1][CH:2]([O:3][c:4]1[cH:5][cH:6][c:7]([C:13]#[C:12][Si:14]([CH3:15])([CH3:16])[CH3:17])[cH:8][cH:9]1)[F:11]