HRID296349

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate Ion

CO3-2

HCID201262

Benzeneboronic acid, p-methoxy-

C7H9BO3

HCID593690

5-Bromo-2-iodopyridine

C5H3BrIN

HCID178420554

未命名化合物

PRODUCTS

产物

HCID13128384

5-Bromo-2-(4-methoxyphenyl)pyridine

C12H10BrNO

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fb7f0841c2d842f2b79c3eba446337bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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