HRID157217

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID105144

Palladium(2+)

Pd+2

HCID583322

2,6-Dimethylphenylboronic acid

C8H11BO2

结构：CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734217

2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl

C26H36NP

结构：CCOC(=O)COc1cccc(CCCn2cc(-c3ccccc3Br)ccc2=O)c1

HCID86637905

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1cccc(CCCn2cc(-c3ccccc3-c3c(C)cccc3C)ccc2=O)c1

HCID86637906

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb2de016718a464c82f897eeba3a746c
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](-[c:8]2[cH:9][cH:10][c:11](=[O:30])[n:12]([CH2:14][CH2:15][CH2:16][c:17]3[cH:18][c:19]([O:20][CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:27][cH:28][cH:29]3)[cH:13]2)[cH:4][cH:5][cH:6][cH:7]1.[CH3:31][c:32]1[c:33]([B:39]([OH:40])[OH:41])[c:34]([CH3:38])[cH:35][cH:36][cH:37]1.[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[CH:42]1([P:43]([CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2-[c:56]2[c:57]([N:58]([CH3:59])[CH3:60])[cH:61][cH:62][cH:63][cH:64]2)[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]1.[ClH:78].[K+:75].[K+:76].[K+:77].[O-:87][C:88]([CH3:89])=[O:90].[O-:91][C:92]([CH3:93])=[O:94].[P:70]([O-:71])([O-:72])([O-:73])=[O:74].[Pd+2:86]>>[c:2]1(-[c:33]2[c:32]([CH3:31])[cH:37][cH:36][cH:35][c:34]2[CH3:38])[c:3](-[c:8]2[cH:9][cH:10][c:11](=[O:30])[n:12]([CH2:14][CH2:15][CH2:16][c:17]3[cH:18][c:19]([O:20][CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:27][cH:28][cH:29]3)[cH:13]2)[cH:4][cH:5][cH:6][cH:7]1