HRID690705

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

2 次

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

2 次

结构：CCC[CH2][Sn]([C]#N)([CH2]CCC)[CH2]CCC

HCID200512

Stannanecarbonitrile, tributyl-

C13H27NSn

结构：C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2ccnn12

HCID77231219

未命名化合物

PRODUCTS

生成物

结构：C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(C#N)nc2ccnn12

HCID66584928

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67f1445a300c4c65b07a94ad3d6bfaa1
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:121]([P:122]([C:123]([CH3:124])([CH3:125])[CH3:126])[C:127]([CH3:128])([CH3:129])[CH3:130])([CH3:131])([CH3:132])[CH3:133].[C:134]([P:135]([C:136]([CH3:137])([CH3:138])[CH3:139])[C:140]([CH3:141])([CH3:142])[CH3:143])([CH3:144])([CH3:145])[CH3:146].[CH2:28]([Sn:29]([CH2:30][CH2:31][CH2:32][CH3:33])([CH2:34][CH2:35][CH2:36][CH3:37])[C:41]#[N:42])[CH2:38][CH2:39][CH3:40].[Cl:1][c:2]1[n:3][c:4]2[n:5]([c:6]([N:8]([CH2:9][O:10][CH2:11][CH2:12][Si:13]([CH3:14])([CH3:15])[CH3:16])[CH2:17][O:18][CH2:19][CH2:20][Si:21]([CH3:22])([CH3:23])[CH3:24])[cH:7]1)[n:25][cH:26][cH:27]2.[Pd:120].[Pd:43].[c:101]1([P:102]([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116][cH:117][cH:118][cH:119]1.[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1.[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1.[c:82]1([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[cH:96][cH:97][cH:98][cH:99][cH:100]1>>[c:2]1([C:41]#[N:42])[n:3][c:4]2[n:5]([c:6]([N:8]([CH2:9][O:10][CH2:11][CH2:12][Si:13]([CH3:14])([CH3:15])[CH3:16])[CH2:17][O:18][CH2:19][CH2:20][Si:21]([CH3:22])([CH3:23])[CH3:24])[cH:7]1)[n:25][cH:26][cH:27]2