HRID1136511

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

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID2734380

Quinoline-8-boronic acid

C9H8BNO2

HCID21939662

Methyl 3-bromo-5-(dipropylcarbamoyl)benzoate

C15H20BrNO3

PRODUCTS

生成物

结构：CCCN(CCC)C(=O)c1cc(C(=O)OC)cc(-c2cccc3cccnc23)c1

HCID21086177

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c66fd60dad8474b99c5212d35e27486
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

[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([Br:19])[cH:7][c:8]([C:10](=[O:11])[N:12]([CH2:13][CH2:14][CH3:15])[CH2:16][CH2:17][CH3:18])[cH:9]1)=[O:20].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[OH2:40].[Pd:124].[c:105]1([P:106]([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120][cH:121][cH:122][cH:123]1.[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1.[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1.[c:86]1([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[cH:100][cH:101][cH:102][cH:103][cH:104]1.[n:21]1[cH:22][cH:23][cH:24][c:25]2[cH:26][cH:27][cH:28][c:29]([B:31]([OH:32])[OH:33])[c:30]12>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6](-[c:29]2[cH:28][cH:27][cH:26][c:25]3[cH:24][cH:23][cH:22][n:21][c:30]32)[cH:7][c:8]([C:10](=[O:11])[N:12]([CH2:13][CH2:14][CH3:15])[CH2:16][CH2:17][CH3:18])[cH:9]1)=[O:20]