HRID115630

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID23938

Palladium

2 次

HCID69860

2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-

C6H8N2O3

HCID95417

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

C17H14O

3 次

HCID22235589

8-Benzyl-3-(prop-2-en-1-yl)-3,8-diazabicyclo[3.2.1]octane

C16H22N2

PRODUCTS

生成物

HCID12079898

8-Benzyl-3,8-diazabicyclo[3.2.1]octane

C13H18N2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d52eddeb02694a61bbf72fb492197e8d
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]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]2[CH2:10][N:11]([CH2:16][CH:17]=[CH2:18])[CH2:12][CH:13]1[CH2:14][CH2:15]2.[CH2:31]([Cl:32])[Cl:33].[CH3:19][N:20]1[C:21](=[O:22])[CH2:23][C:24](=[O:25])[N:26]([CH3:27])[C:28]1=[O:29].[ClH:30].[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]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]2[CH2:10][NH:11][CH2:12][CH:13]1[CH2:14][CH2:15]2