HRID90159

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：Fc1ccc(-c2nncc(-c3ccc(F)c(Br)c3)n2)c(F)c1

HCID10384255

未命名化合物

HCID22240104

3-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

C13H15BFNO2

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：N#Cc1cccc(F)c1-c1cc(-c2cnnc(-c3ccc(F)cc3F)n2)ccc1F

HCID9978647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12c30bb17933418a85c34d9d6af508be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][c:11](-[c:15]3[c:16]([F:22])[cH:17][c:18]([F:21])[cH:19][cH:20]3)[n:12][n:13][cH:14]2)[cH:5][cH:6][c:7]1[F:8].[CH2:41]1[O:42][CH2:43][CH2:44][O:45][CH2:46]1.[F:23][c:24]1[c:25]([B:32]2[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40]2)[c:26]([C:27]#[N:28])[cH:29][cH:30][cH:31]1.[Na+:47].[Na+:48].[O-:49][C:50](=[O:51])[O-:52].[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>>[c:2]1(-[c:25]2[c:24]([F:23])[cH:31][cH:30][cH:29][c:26]2[C:27]#[N:28])[cH:3][c:4](-[c:9]2[n:10][c:11](-[c:15]3[c:16]([F:22])[cH:17][c:18]([F:21])[cH:19][cH:20]3)[n:12][n:13][cH:14]2)[cH:5][cH:6][c:7]1[F:8]