HRID1575140

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID23938

Palladium

2 次

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

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

C17H14O

3 次

HCID564216

Pyridine, 2-bromo-5-methyl-

C6H6BrN

反应SMILES：O=C1OC2(CCN(C(=O)C3(c4ccc(Br)cc4)CC3)C2)c2ccccc21

HCID66661610

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(-c2ccc(C3(C(=O)N4CCC5(C4)OC(=O)c4ccccc45)CC3)cc2)nc1

HCID66661667

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b6f9954cffb2486c9b044a8e70017e51
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:11](=[O:12])[N:13]3[CH2:14][C:15]4([O:16][C:17](=[O:24])[c:18]5[c:19]4[cH:20][cH:21][cH:22][cH:23]5)[CH2:25][CH2:26]3)[CH2:9][CH2:10]2)[cH:6][cH:7]1.[Br:48][c:49]1[n:50][cH:51][c:52]([CH3:55])[cH:53][cH:54]1.[C:33]([P:34]([C:35]([CH3:36])([CH3:37])[CH3:38])[C:39]([CH3:40])([CH3:41])[CH3:42])([CH3:43])([CH3:44])[CH3:45].[CH2:27]1[O:28][CH2:29][CH2:30][O:31][CH2:32]1.[F-:46].[K+:47].[O:58]=[C:59]([CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)[CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[Pd:56].[Pd:57]>>[c:2]1(-[c:49]2[n:50][cH:51][c:52]([CH3:55])[cH:53][cH:54]2)[cH:3][cH:4][c:5]([C:8]2([C:11](=[O:12])[N:13]3[CH2:14][C:15]4([O:16][C:17](=[O:24])[c:18]5[c:19]4[cH:20][cH:21][cH:22][cH:23]5)[CH2:25][CH2:26]3)[CH2:9][CH2:10]2)[cH:6][cH:7]1