HRID106229

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID7504

Benzylamine

C7H9N

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID68501218

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N1CCC2Cc3c(C)cc(NCc4ccccc4)cc3C2C1

HCID68503617

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc773c5333e943f2b93dd18a04260201
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]2[CH2:10][c:11]3[c:12]([CH3:20])[cH:13][c:14]([Br:19])[cH:15][c:16]3[CH:17]2[CH2:18]1.[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[Cl:36][CH2:37][Cl:38].[NH2:21][CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[O:41]=[C:42]([CH:43]=[CH:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[O:59]=[C:60]([CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[Pd:39].[Pd:40]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]2[CH2:10][c:11]3[c:12]([CH3:20])[cH:13][c:14]([NH:21][CH2:22][c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[cH:15][c:16]3[CH:17]2[CH2:18]1