HRID1567102

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

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID145298

p-Bromophenyl octyl ether

C14H21BrO

反应SMILES：CCCCCCCCOc1ccc(-c2ccc(B(O)O)c(F)n2)cc1

HCID19046950

未命名化合物

反应SMILES：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

产物

反应SMILES：CCCCCCCCOc1ccc(-c2ccc(-c3ccc(OCCCCCCCC)cc3)c(F)n2)cc1

HCID19046951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f132103e7f4045bdb0be487c77488f76
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:26][c:27]1[cH:28][cH:29][c:30]([O:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])[cH:31][cH:32]1.[CH3:51][CH2:52][OH:53].[Cl:48][CH2:49][Cl:50].[F:1][c:2]1[n:3][c:4](-[c:11]2[cH:12][cH:13][c:14]([O:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[cH:15][cH:16]2)[cH:5][cH:6][c:7]1[B:8]([OH:9])[OH:10].[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47].[OH2:60].[cH:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[cH:61]1[cH:62][cH:63][c:64]([P:65]([Pd:66]([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)[P:105]([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)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)([c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[cH:136][cH:137]1>>[F:1][c:2]1[n:3][c:4](-[c:11]2[cH:12][cH:13][c:14]([O:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[cH:15][cH:16]2)[cH:5][cH:6][c:7]1-[c:27]1[cH:28][cH:29][c:30]([O:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])[cH:31][cH:32]1