HRID1152687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID53167

1-Methylpiperazine

C5H12N2

HCID95417

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

C17H14O

3 次

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID4574913

未命名化合物

结构：C=C(C)c1cc(C(=O)N2Cc3ccc(Br)cc3C2)c(OCc2ccccc2)cc1OCc1ccccc1

HCID46915776

未命名化合物

PRODUCTS

生成物

结构：C=C(C)c1cc(C(=O)N2Cc3ccc(N4CCN(C)CC4)cc3C2)c(OCc2ccccc2)cc1OCc1ccccc1

HCID59263103

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6efe38fcaba14e79a6304660b770b2c2
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

[C:38]([P:39]([C:40]([CH3:41])([CH3:42])[CH3:43])[c:44]1[cH:45][cH:46][cH:47][cH:48][c:49]1-[c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)([CH3:56])([CH3:57])[CH3:58].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:26](=[O:27])[N:28]2[CH2:29][c:30]3[cH:31][cH:32][c:33]([Br:37])[cH:34][c:35]3[CH2:36]2)[cH:11][c:12]([C:23](=[CH2:24])[CH3:25])[c:13]([O:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:14]1.[CH3:128][c:129]1[cH:130][cH:131][cH:132][cH:133][cH:134]1.[CH3:59][C:60]([CH3:61])([O-:62])[CH3:63].[CH3:65][N:66]1[CH2:67][CH2:68][NH:69][CH2:70][CH2:71]1.[Na+:64].[O:110]=[C:111]([CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1)[CH:120]=[CH:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[Pd:72].[Pd:73]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:26](=[O:27])[N:28]2[CH2:29][c:30]3[cH:31][cH:32][c:33]([N:69]4[CH2:68][CH2:67][N:66]([CH3:65])[CH2:71][CH2:70]4)[cH:34][c:35]3[CH2:36]2)[cH:11][c:12]([C:23](=[CH2:24])[CH3:25])[c:13]([O:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:14]1