HRID664785

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID32051

Zinc (II) cation

Zn+2

HCID66111

Trimethylsilylacetylene

C5H10Si

HCID69273

Benzoic acid, 4-iodo-, methyl ester

C8H7IO2

HCID178418339

未命名化合物

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

HCID640161

methyl 4-trimethylsilylethynylbenzoate

C13H16O2Si

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03b165e747fd4a46ba64f4d53a3515d1
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

[CH2:23]1[O:24][CH2:25][CH2:26][CH2:27]1.[CH2:7]([Li:8])[CH2:9][CH2:10][CH3:11].[CH3:12][O:13][C:14]([c:15]1[cH:16][cH:17][c:18]([I:21])[cH:19][cH:20]1)=[O:22].[CH3:1][Si:2]([CH3:3])([CH3:4])[C:5]#[CH:6].[CH3:28][CH2:29][O:30][C:31](=[O:32])[CH3:33].[Cl-:34].[Cl-:36].[Zn+2:35].[cH:37]1[cH:38][cH:39][c:40]([P:41]([Pd:42]([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[cH:112][cH:113]1>>[CH3:1][Si:2]([CH3:3])([CH3:4])[C:5]#[C:6][c:18]1[cH:17][cH:16][c:15]([C:14]([O:13][CH3:12])=[O:22])[cH:20][cH:19]1