HRID1571135

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID23938

Palladium

2 次

HCID26255

Tetrafluoroborate

BF4-

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID4060964

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)N1CCC(Oc2cc(N3CCc4ncccc43)ncn2)CC1

HCID49848658

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52bffb2ea809432da608b4ae7494d47c
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

[B-:36]([F:37])([F:38])([F:39])[F:40].[C:41]([PH+:42]([C:43]([CH3:44])([CH3:45])[CH3:46])[C:47]([CH3:48])([CH3:49])[CH3:50])([CH3:51])([CH3:52])[CH3:53].[CH2:110]1[O:111][CH2:112][CH2:113][CH2:114]1.[CH3:21][C:22]([CH3:23])([O-:24])[CH3:25].[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[n:15][cH:16][n:17][c:18]([Cl:20])[cH:19]2)[CH2:11][CH2:12]1.[K+:26].[NH:27]1[CH2:28][CH2:29][c:30]2[n:31][cH:32][cH:33][cH:34][c:35]21.[O:115]1[CH2:116][CH2:117][O:118][CH2:119][CH2:120]1.[O:56]=[C:57]([CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)[CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[Pd:54].[Pd:55]>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[n:15][cH:16][n:17][c:18]([N:27]3[CH2:28][CH2:29][c:30]4[n:31][cH:32][cH:33][cH:34][c:35]43)[cH:19]2)[CH2:11][CH2:12]1