HRID207726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID23938

Palladium

2 次

HCID26255

Tetrafluoroborate

BF4-

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID2762704

(2-Chloropyridin-3-yl)boronic acid

C5H5BClNO2

HCID4060964

未命名化合物

结构：Brc1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID10834188

4-BROMO-1-TRITYL-1H-PYRAZOLE

C22H17BrN2

PRODUCTS

生成物

结构：Clc1ncccc1-c1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID86614163

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6840483dab77446298ac036853c80f90
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

[B-:38]([F:39])([F:40])([F:41])[F:42].[Br:1][c:2]1[cH:3][n:4][n:5]([C:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:6]1.[C:43]([PH+:44]([C:45]([CH3:46])([CH3:47])[CH3:48])[C:49]([CH3:50])([CH3:51])[CH3:52])([CH3:53])([CH3:54])[CH3:55].[CH2:112]1[O:113][CH2:114][CH2:115][O:116][CH2:117]1.[Cl:28][c:29]1[n:30][cH:31][cH:32][cH:33][c:34]1[B:35]([OH:36])[OH:37].[F-:26].[K+:27].[O:58]=[C:59]([CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)[CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[Pd:56].[Pd:57]>>[c:2]1(-[c:34]2[c:29]([Cl:28])[n:30][cH:31][cH:32][cH:33]2)[cH:3][n:4][n:5]([C:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:6]1