HRID204653

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

3 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID2728482

N-Boc-5-bromoindole

C13H14BrNO2

HCID2734379

Pyridine-4-boronic acid

C5H6BNO2

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：CC(C)(C)OC(=O)n1ccc2cc(-c3ccncc3)ccc21

HCID68857022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34eb488e6bb748c18c13a92581109496
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:10][c:11]1[cH:12][c:13]2[cH:14][cH:15][n:16]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[c:17]2[cH:18][cH:19]1.[CH3:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[CH3:119][CH2:120][OH:121].[Cl-:34].[Na+:27].[Na+:28].[Na+:33].[O-:29][C:30](=[O:31])[O-:32].[cH:35]1[cH:36][cH:37][c:38]([P:39]([Pd:40]([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([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)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[cH:110][cH:111]1.[n:1]1[cH:2][cH:3][c:4]([B:7]([OH:8])[OH:9])[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4](-[c:11]2[cH:12][c:13]3[cH:14][cH:15][n:16]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[c:17]3[cH:18][cH:19]2)[cH:5][cH:6]1