HRID665961

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID2783130

4-Cyano-3-fluorophenylboronic acid

C7H5BFNO2

结构：O=[N+]([O-])c1ccc2c(Br)cn(S(=O)(=O)c3ccccc3)c2c1

HCID57442196

未命名化合物

结构：N#Cc1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3cc([N+](=O)[O-])ccc23)cc1F

HCID67101102

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(-c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1F

HCID57442195

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34b8fae9a03243a7ae82589a101e0896
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

[CH2:128]1[O:129][CH2:130][CH2:131][CH2:132]1.[F:53][c:54]1[cH:55][c:56]([B:57]([OH:58])[OH:59])[cH:60][cH:61][c:62]1[C:63]#[N:64].[K+:65].[K+:66].[O-:67][C:68]([O-:69])=[O:70].[O:109]=[C:110]([CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1)[CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[OH2:127].[Pd:71].[Pd:72].[c:1]1([S:2](=[O:3])(=[O:4])[n:10]2[cH:11][c:12](-[c:22]3[cH:23][c:24]([F:30])[c:25]([C:26]#[N:27])[cH:28][cH:29]3)[c:13]3[cH:14][cH:15][c:16]([N+:19](=[O:20])[O-:21])[cH:17][c:18]23)[cH:5][cH:6][cH:7][cH:8][cH:9]1.[c:31]1([S:32]([n:33]2[c:34]3[c:35]([cH:36][cH:37][c:38]([N+:39]([O-:40])=[O:41])[cH:42]3)[c:43]([Br:44])[cH:45]2)(=[O:46])=[O:47])[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[nH:10]1[cH:11][c:12](-[c:22]2[cH:23][c:24]([F:30])[c:25]([C:26]#[N:27])[cH:28][cH:29]2)[c:13]2[cH:14][cH:15][c:16]([N+:19](=[O:20])[O-:21])[cH:17][c:18]12