HRID2312737

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID11575

Benzene, iodo-

C6H5I

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID58902522

Methyl 3-[4-(4-aminophenyl)piperazin-1-yl]propanoate

C14H21N3O2

PRODUCTS

产物

反应SMILES：COC(=O)CCN1CCN(c2ccc(Nc3ccccc3)cc2)CC1

HCID24936243

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ae25e014b5024f71b60a393373dad2c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[CH3:1][O:2][C:3]([CH2:4][CH2:5][N:6]1[CH2:7][CH2:8][N:9]([c:12]2[cH:13][cH:14][c:15]([NH2:18])[cH:16][cH:17]2)[CH2:10][CH2:11]1)=[O:19].[CH3:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[I:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[O:36]=[C:37]([CH:38]=[CH:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[CH:46]=[CH:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[O:54]=[C:55]([CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)[CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[O:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[Pd:34].[Pd:35]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][N:6]1[CH2:7][CH2:8][N:9]([c:12]2[cH:13][cH:14][c:15]([NH:18][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:16][cH:17]2)[CH2:10][CH2:11]1)=[O:19]