HRID190458

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7294

Methyl acrylate

C4H6O2

HCID23938

Palladium

2 次

HCID24210

N-Cyclohexyl-N-methylcyclohexanamine

C13H25N

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID53407516

tert-Butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate

C15H20BrNO2

PRODUCTS

生成物

结构：COC(=O)C=Cc1ccc(C2CCCN2C(=O)OC(C)(C)C)cc1

HCID67158476

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae347313a892486484c1b1ebfca2e19f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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