HRID808592

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID2757964

3-Cyano-4-fluorophenylboronic acid

C7H5BFNO2

HCID3034819

Methyl radical

CH3

结构：CCOC(=O)CC1CCc2c1ccc(-c1ncc(Br)s1)c2C

HCID90709114

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

HCID3034819

Methyl radical

CH3

结构：CCOC(=O)CC1CCc2c1ccc(-c1ncc(-c3ccc(F)c(C#N)c3)s1)c2C

HCID90867080

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-057597083d3644e0aa55d1fd4c26a069
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:2][c:3]1[cH:4][n:5][c:6](-[c:8]2[c:9]([CH3:23])[c:10]3[c:14]([cH:15][cH:16]2)[CH:13]([CH2:17][C:18](=[O:19])[O:20][CH2:21][CH3:22])[CH2:12][CH2:11]3)[s:7]1.[C:24](#[N:25])[c:26]1[cH:27][c:28]([B:33]([OH:34])[OH:35])[cH:29][cH:30][c:31]1[F:32].[C:36](=[O:37])([O-:38])[O-:39].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:1].[Na+:40].[Na+:41].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([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)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[CH3:1].[c:3]1(-[c:28]2[cH:27][c:26]([C:24]#[N:25])[c:31]([F:32])[cH:30][cH:29]2)[cH:4][n:5][c:6](-[c:8]2[c:9]([CH3:23])[c:10]3[c:14]([cH:15][cH:16]2)[CH:13]([CH2:17][C:18](=[O:19])[O:20][CH2:21][CH3:22])[CH2:12][CH2:11]3)[s:7]1