HRID2161503

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2734378

Pyridine-3-boronic acid

C5H6BNO2

HCID21990991

未命名化合物

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

HCID10236648

2-[3-Methoxy-4-(pyridin-3-ylmethyl)phenyl]-1,3-benzoxazole

C20H16N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2de4f005e16448a8b4384dcfc1f10273
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][CH2:2][c:3]1[c:4]([O:18][CH3:19])[cH:5][c:6](-[c:9]2[o:10][c:11]3[c:12]([n:13]2)[cH:14][cH:15][cH:16][cH:17]3)[cH:7][cH:8]1.[CH3:35][O:36][CH2:37][CH2:38][O:39][CH3:40].[K+:29].[K+:30].[O-:31][C:32]([O-:33])=[O:34].[OH2:118].[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([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)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([P:66]([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)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[P:85]([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)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117]1.[n:20]1[cH:21][c:22]([B:26]([OH:27])[OH:28])[cH:23][cH:24][cH:25]1>>[CH2:2]([c:3]1[c:4]([O:18][CH3:19])[cH:5][c:6](-[c:9]2[o:10][c:11]3[c:12]([n:13]2)[cH:14][cH:15][cH:16][cH:17]3)[cH:7][cH:8]1)[c:22]1[cH:21][n:20][cH:25][cH:24][cH:23]1