HRID667414

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

3 次

HCID24290

未命名化合物

HCID66111

Trimethylsilylacetylene

C5H10Si

HCID83717

Copper iodide (CuI2)

CuI2

结构：CCOC(=O)c1c(C(C)C)nc(C(C)C)c(C(=O)OCC)c1-c1ccccc1I

HCID22005000

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(C(C)C)nc(C(C)C)c(C(=O)OCC)c1-c1ccccc1C#C[Si](C)(C)C

HCID22005127

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb16b74d4b1245f0a70593e9a702c2d1
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

[CH3:30][Si:31]([CH3:32])([CH3:33])[C:34]#[CH:35].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH:27]([CH3:28])[CH3:29])[c:7]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[c:8](-[c:15]2[c:16]([I:21])[cH:17][cH:18][cH:19][cH:20]2)[c:9]1[C:10](=[O:11])[O:12][CH2:13][CH3:14].[Cu:110]([I:111])[I:112].[Pd:69]([Cl:70])[Cl:71].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:72]1([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87][cH:88][cH:89][cH:90]1.[c:91]1([P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[cH:105][cH:106][cH:107][cH:108][cH:109]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH:27]([CH3:28])[CH3:29])[c:7]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[c:8](-[c:15]2[c:16]([C:35]#[C:34][Si:31]([CH3:30])([CH3:32])[CH3:33])[cH:17][cH:18][cH:19][cH:20]2)[c:9]1[C:10](=[O:11])[O:12][CH2:13][CH3:14]