HRID314653

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8058

n-Hexane

C6H14

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID10442

1,3-Propanediol

C3H8O2

HCID19660

Carbonate

CO3-2

HCID2734378

3-Pyridinylboronic acid

C5H6BNO2

结构：Fc1ccc(-c2noc(-c3cc(F)cc(Br)c3)n2)nc1

HCID10290901

3-(5-Fluoro-2-pyridyl)-5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazole

C13H6BrF2N3O

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：Fc1ccc(-c2noc(-c3cc(F)cc(-c4cccnc4)c3)n2)nc1

HCID10131828

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9c06b24317b49338091b8aeb66224e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:21]([OH:22])[CH2:23][CH2:24][OH:25].[CH3:130][CH2:131][O:132][C:133](=[O:134])[CH3:135].[CH3:35][O:36][CH2:37][CH2:38][O:39][CH3:40].[CH3:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11](-[c:13]3[cH:14][c:15]([Br:20])[cH:16][c:17]([F:19])[cH:18]3)[n:12]2)[n:6][cH:7]1.[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([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)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([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)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([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)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1.[n:26]1[cH:27][c:28]([B:32]([OH:33])[OH:34])[cH:29][cH:30][cH:31]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11](-[c:13]3[cH:14][c:15](-[c:28]4[cH:27][n:26][cH:31][cH:30][cH:29]4)[cH:16][c:17]([F:19])[cH:18]3)[n:12]2)[n:6][cH:7]1