HRID93983

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID67960

4-Bromo-2-(trifluoromethyl)aniline

C7H5BrF3N

HCID3696091

[4-(4-Pentylcyclohexyl)phenyl]boronic acid

C17H27BO2

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(N)c(C(F)(F)F)c3)cc2)CC1

HCID22465754

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-510c57b87b7f420cb59f439c815cf131
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:4]([CH2:5][CH2:6][CH2:7][CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]([B:21]([OH:22])[OH:23])[cH:19][cH:20]2)[CH2:13][CH2:14]1.[CH3:1][CH2:2][OH:3].[F:24][C:25]([c:26]1[c:27]([NH2:28])[cH:29][cH:30][c:31]([Br:33])[cH:32]1)([F:34])[F:35].[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[OH2:119].[cH:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1.[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[CH2:4]([CH2:5][CH2:6][CH2:7][CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18](-[c:31]3[cH:30][cH:29][c:27]([NH2:28])[c:26]([C:25]([F:24])([F:34])[F:35])[cH:32]3)[cH:19][cH:20]2)[CH2:13][CH2:14]1