HRID1568880

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID14268

4-Bromopyridine

C5H4BrN

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

HCID2734336

2,6-Difluorophenylboronic acid

C6H5BF2O2

PRODUCTS

生成物

HCID10899450

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-074f23edc9da4217b0acd10556c9eeab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:2][c:3]1[cH:4][cH:5][n:6][cH:7][cH:8]1.[C:24]([P:25]([C:26]([CH3:27])([CH3:28])[CH3:29])[C:30]([CH3:31])([CH3:32])[CH3:33])([CH3:34])([CH3:35])[CH3:36].[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[Cl:49][CH2:50][Cl:51].[ClH:1].[F-:22].[F:11][c:12]1[c:13]([B:19]([OH:20])[OH:21])[c:14]([F:18])[cH:15][cH:16][cH:17]1.[K+:23].[Na+:10].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[O:54]=[C:55]([CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)[CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[O:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[OH-:9].[OH2:42].[Pd:52].[Pd:53]>>[c:3]1(-[c:13]2[c:12]([F:11])[cH:17][cH:16][cH:15][c:14]2[F:18])[cH:4][cH:5][n:6][cH:7][cH:8]1