HRID198211

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID30165

Iodide ion

I-

HCID66111

Trimethylsilylacetylene

C5H10Si

结构：CC1(C)OC(=O)Nc2ccc(-c3cccc(Br)c3)cc21

HCID9862411

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

结构：CC1(C)OC(=O)Nc2ccc(-c3cccc(C#C[Si](C)(C)C)c3)cc21

HCID9902976

4,4-Dimethyl-6-(3-trimethylsilanylethynyl-phenyl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one

C21H23NO2Si

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94c426cada5e49f0b7c1e47c4200c0c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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