HRID181635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID32051

Zinc (II) cation

Zn+2

HCID736793

5-bromonicotinonitrile

C6H3BrN2

HCID67047813

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

HCID67047551

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ac381c7cb5e4cf0a33151342404c9dd
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-:58].[Br-:60].[Br:8][c:9]1[cH:10][n:11][cH:12][c:13]([C:14]#[N:15])[cH:16]1.[CH3:18][CH2:19][CH2:20][CH2:21][N+:22]([CH2:23][CH2:24][CH2:25][CH3:26])([CH2:27][CH2:28][CH2:29][CH3:30])[CH2:31][CH2:32][CH2:33][CH3:34].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[F-:17].[F:35][c:36]1[c:37]([CH2:38][NH:39][C:40]([CH3:41])=[O:42])[cH:43][c:44]([C:47]#[C:48][Si:49]([CH3:50])([CH3:51])[CH3:52])[cH:45][cH:46]1.[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[Zn+2:59].[cH:61]1[cH:62][cH:63][c:64]([P:65]([Pd:66]([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([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)([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([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)[P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)([c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[cH:136][cH:137]1>>[c:9]1([C:48]#[C:47][c:44]2[cH:43][c:37]([CH2:38][NH:39][C:40]([CH3:41])=[O:42])[c:36]([F:35])[cH:46][cH:45]2)[cH:10][n:11][cH:12][c:13]([C:14]#[N:15])[cH:16]1