HRID152372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID2762713

2,6-Difluoropyridine-3-boronic acid

C5H4BF2NO2

HCID3827903

1-Bromo-4-(4-pentylcyclohexyl)benzene

C17H25Br

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

结构：CCCCCC1CCC(c2ccc(-c3ccc(F)nc3F)cc2)CC1

HCID19765696

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b56e881dfe1c4a7f942b74ae7447782a
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

[C:37](=[O:38])([O-:39])[O-:40].[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[CH:6]1[CH2:7][CH2:8][CH:9]([c:12]2[cH:13][cH:14][c:15]([Br:18])[cH:16][cH:17]2)[CH2:10][CH2:11]1.[CH3:120][CH2:121][OH:122].[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[F:19][c:20]1[n:21][c:22]([F:29])[cH:23][cH:24][c:25]1[B:26]([OH:27])[OH:28].[Na+:41].[Na+: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>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[CH:6]1[CH2:7][CH2:8][CH:9]([c:12]2[cH:13][cH:14][c:15](-[c:25]3[c:20]([F:19])[n:21][c:22]([F:29])[cH:23][cH:24]3)[cH:16][cH:17]2)[CH2:10][CH2:11]1