HRID201536

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

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

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

C17H14O

3 次

HCID13732746

3-Bromo-2,4-difluoroaniline

C6H4BrF2N

HCID22240104

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

C13H15BFNO2

PRODUCTS

生成物

HCID22240092

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43257af529e8483492df90fa0b09ba50
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[c:3]([F:10])[c:4]([NH2:9])[cH:5][cH:6][c:7]1[F:8].[C:31]([P:32]([C:33]([CH3:34])([CH3:35])[CH3:36])[C:37]([CH3:38])([CH3:39])[CH3:40])([CH3:41])([CH3:42])[CH3:43].[CH2:49]1[O:50][CH2:51][CH2:52][O:53][CH2:54]1.[F-:29].[F:11][c:12]1[c:13]([B:20]2[O:21][C:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28]2)[c:14]([C:15]#[N:16])[cH:17][cH:18][cH:19]1.[K+:30].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[O:57]=[C:58]([CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)[CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[O:75]=[C:76]([CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1)[CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[O:93]=[C:94]([CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1)[CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1.[Pd:55].[Pd:56]>>[c:2]1(-[c:13]2[c:12]([F:11])[cH:19][cH:18][cH:17][c:14]2[C:15]#[N:16])[c:3]([F:10])[c:4]([NH2:9])[cH:5][cH:6][c:7]1[F:8]