HRID667260

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8821

Ethyl acrylate

C5H8O2

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

HCID11983730

tert-butyl N-(1-(4-bromophenyl)ethyl)carbamate

C13H18BrNO2

PRODUCTS

产物

HCID69064356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f18573765dc34450a48a171b9c12e161
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH3:9])[c:10]1[cH:11][cH:12][c:13]([Br:16])[cH:14][cH:15]1)=[O:17].[C:38]([CH:39]=[CH2:40])(=[O:41])[O:42][CH2:43][CH3:44].[CH2:32]1[O:33][CH2:34][CH2:35][O:36][CH2:37]1.[CH3:18][N:19]([CH:20]1[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]1)[CH:26]1[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]1.[O:47]=[C:48]([CH:49]=[CH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[O:65]=[C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[OH2:101].[Pd:45].[Pd:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH3:9])[c:10]1[cH:11][cH:12][c:13]([CH:40]=[CH:39][C:38](=[O:41])[O:42][CH2:43][CH3:44])[cH:14][cH:15]1)=[O:17]