HRID1149780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID7973

2-Bromopyridine

C5H4BrN

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID2733267

2-Methylphenylboronic acid

C7H9BO2

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

PRODUCTS

生成物

HCID82510

2-(o-Tolyl)pyridine

C12H11N

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-087f997b6e914a559f60969e09092971
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][cH:5][cH:6][n:7]1.[CH3:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[CH:18]1([P:19]([CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2-[c:32]2[c:33]([O:34][CH3:35])[cH:36][cH:37][cH:38][c:39]2[O:40][CH3:41])[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[K+:52].[K+:53].[K+:54].[O:57]=[C:58]([CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)[CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[O:75]=[C:76]([CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1)[CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[O:93]=[C:94]([CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1)[CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1.[OH2:111].[P:47]([O-:48])([O-:49])([O-:50])=[O:51].[Pd:55].[Pd:56].[c:8]1([CH3:17])[c:9]([B:14]([OH:15])[OH:16])[cH:10][cH:11][cH:12][cH:13]1>>[c:2]1(-[c:9]2[c:8]([CH3:17])[cH:13][cH:12][cH:11][cH:10]2)[cH:3][cH:4][cH:5][cH:6][n:7]1