HRID142355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID23938

Palladium

2 次

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

HCID69699

2-Bromo-1-fluoro-4-nitrobenzene

C6H3BrFNO2

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

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

C17H14O

3 次

HCID2773543

2-(Methylthio)phenylboronic acid

C7H9BO2S

PRODUCTS

生成物

HCID22285277

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e646a7f901948f38ca9ed24867e654e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[c:3]([F:11])[cH:4][cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1.[C:25]([P:26]([C:27]([CH3:28])([CH3:29])[CH3:30])[C:31]([CH3:32])([CH3:33])[CH3:34])([CH3:35])([CH3:36])[CH3:37].[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[CH3:12][S:13][c:14]1[c:15]([B:20]([OH:21])[OH:22])[cH:16][cH:17][cH:18][cH:19]1.[F-:23].[K+:24].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[O:51]=[C:52]([CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[O:69]=[C:70]([CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)[CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[O:87]=[C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)[CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[Pd:49].[Pd:50]>>[c:2]1(-[c:15]2[c:14]([S:13][CH3:12])[cH:19][cH:18][cH:17][cH:16]2)[c:3]([F:11])[cH:4][cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1