HRID1216222

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

HCID26255

Tetrafluoroborate

BF4-

HCID31275

1,4-Dioxane

C4H8O2

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

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

C17H14O

3 次

结构：CN1CCN(CCc2cnn3ccccc23)C(c2ccc(Br)cc2)C1

HCID57899247

Pyrazolo[1,5-a]pyridine, 3-[2-[2-(4-bromophenyl)-4-methyl-1-piperazinyl]ethyl]-

C20H23BrN4

PRODUCTS

生成物

结构：COC(=O)C=Cc1ccc(C2CN(C)CCN2CCc2cnn3ccccc23)cc1

HCID67157792

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de022921f6be41b6a784797613480dad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[B-:46]([F:47])([F:48])([F:49])[F:50].[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[N:9]([CH2:15][CH2:16][c:17]3[cH:18][n:19][n:20]4[c:21]3[cH:22][cH:23][cH:24][cH:25]4)[CH2:10][CH2:11][N:12]([CH3:14])[CH2:13]2)[cH:6][cH:7]1.[C:26]([CH:27]=[CH2:28])(=[O:29])[O:30][CH3:31].[C:51]([P:52]([C:53]([CH3:54])([CH3:55])[CH3:56])[C:57]([CH3:58])([CH3:59])[CH3:60])([CH3:61])([CH3:62])[CH3:63].[CH2:64]1[O:65][CH2:66][CH2:67][O:68][CH2:69]1.[CH3:32][N:33]([CH:34]1[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]1)[CH:40]1[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]1.[O:108]=[C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)[CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]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.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:70].[Pd:71]>>[c:2]1([CH:28]=[CH:27][C:26](=[O:29])[O:30][CH3:31])[cH:3][cH:4][c:5]([CH:8]2[N:9]([CH2:15][CH2:16][c:17]3[cH:18][n:19][n:20]4[c:21]3[cH:22][cH:23][cH:24][cH:25]4)[CH2:10][CH2:11][N:12]([CH3:14])[CH2:13]2)[cH:6][cH:7]1