HRID669640

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

HCID2734615

4-Aminophenylboronic acid

C6H8BNO2

HCID57445353

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

HCID57445352

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0a5b5ed7e044320a4238499256285c4
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

[Br:1][c:2]1[c:3]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[nH:4][c:5]2[cH:6][n:7][cH:8][cH:9][c:10]12.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[ClH:16].[F-:27].[K+:28].[NH2:17][c:18]1[cH:19][cH:20][c:21]([B:24]([OH:25])[OH:26])[cH:22][cH:23]1.[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[OH2:42].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1>>[c:2]1(-[c:21]2[cH:20][cH:19][c:18]([NH2:17])[cH:23][cH:22]2)[c:3]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[nH:4][c:5]2[cH:6][n:7][cH:8][cH:9][c:10]12