HRID1560187

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8083

Morpholine

C4H9NO

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID4574913

未命名化合物

HCID68617867

未命名化合物

PRODUCTS

生成物

结构：c1ccc(-c2nnn(-c3ccc(C4COCCN4)cc3)n2)nc1

HCID68618155

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e34db9e8d13c4b828eb052c528dcd01f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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