HRID153149

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID2733267

2-Methylphenylboronic acid

C7H9BO2

HCID6425184

methyl 4-bromo-3-hydroxybenzoate

C8H7BrO3

PRODUCTS

生成物

HCID58554208

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ec268ef98bb4015b88203c0f29debde
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:1][c:2]1[c:3]([OH:12])[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[C:23](=[O:24])([O-:25])[O-:26].[CH3:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1.[K+:27].[K+:28].[Pd:29].[c:13]1([CH3:22])[c:14]([B:19]([OH:20])[OH:21])[cH:15][cH:16][cH:17][cH:18]1.[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1.[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1.[c:87]1([P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[cH:101][cH:102][cH:103][cH:104][cH:105]1>>[c:2]1(-[c:14]2[c:13]([CH3:22])[cH:18][cH:17][cH:16][cH:15]2)[c:3]([OH:12])[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1