HRID137402

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

HCID10682603

4-Benzyloxy-3-methoxyphenylboronic acid

C14H15BO4

结构：[O-][n+]1c(-c2cccc(Br)c2)cccc1C(F)(F)F

HCID67037089

2-(3-Bromophenyl)-1-oxo-6-(trifluoromethyl)-1lambda~5~-pyridine

C12H7BrF3NO

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：COc1cc(-c2cccc(-c3cccc(C(F)(F)F)[n+]3[O-])c2)ccc1OCc1ccccc1

HCID67037289

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac2b324e8de542f59172614e87bcf564
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

[Br:20][c:21]1[cH:22][c:23](-[c:27]2[n+:28]([O-:37])[c:29]([C:33]([F:34])([F:35])[F:36])[cH:30][cH:31][cH:32]2)[cH:24][cH:25][cH:26]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:18][CH3:19])[cH:11][c:12]([B:15]([OH:16])[OH:17])[cH:13][cH:14]1.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH3:51][CH2:52][OH:53].[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([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)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:18][CH3:19])[cH:11][c:12](-[c:21]2[cH:22][c:23](-[c:27]3[n+:28]([O-:37])[c:29]([C:33]([F:34])([F:35])[F:36])[cH:30][cH:31][cH:32]3)[cH:24][cH:25][cH:26]2)[cH:13][cH:14]1