HRID680465

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8083

Morpholine

C4H9NO

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID693324

3-Bromo-2-chloropyridine

C5H3BrClN

HCID4574913

未命名化合物

PRODUCTS

生成物

HCID52940322

4-(2-Chloropyridin-3-yl)morpholine

C9H11ClN2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fbcfa1575cb6418ba7bfddf061b857fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[c:3]([Cl:8])[n:4][cH:5][cH:6][cH:7]1.[CH2:15]1[CH2:16][O:17][CH2:18][CH2:19][NH:20]1.[CH3:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[CH3:9][C:10]([CH3:11])([O-:12])[CH3:13].[Na+:14].[O:23]=[C:24]([CH:25]=[CH:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[CH:33]=[CH:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]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.[Pd:21].[Pd:22]>>[c:2]1([N:20]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[c:3]([Cl:8])[n:4][cH:5][cH:6][cH:7]1