HRID1205051

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID947

Nitrogen

HCID8071

未命名化合物

HCID12081

Benzoic acid, 4-bromo-, methyl ester

C8H7BrO2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID78013

Piperazine, 1-isopropyl-

C7H16N2

HCID95417

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

C17H14O

3 次

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

HCID2734217

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

C26H36NP

PRODUCTS

生成物

HCID69129778

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44c5f40a9a4749d79343888743720312
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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