HRID700946

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID736269

1-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one

C12H17N3O

HCID86637348

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)n1c(C(=O)OC)cc2cnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)nc21

HCID58015967

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3447c3a1f9fe4124a8d02c560b2119bd
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:36](=[O:37])([O-:38])[O-:39].[CH2:42]1[O:43][CH2:44][CH2:45][O:46][CH2:47]1.[CH3:17][O:18][C:19](=[O:20])[c:21]1[cH:22][c:23]2[c:24]([n:25][c:26]([Cl:29])[n:27][cH:28]2)[n:30]1[CH:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[Cs+:40].[Cs+:41].[NH2:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([C:14]([CH3:15])=[O:16])[CH2:12][CH2:13]2)[cH:6][cH:7]1.[O:50]=[C:51]([CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[O:68]=[C:69]([CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1)[CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[O:86]=[C:87]([CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1)[CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[Pd:48].[Pd:49]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([C:14]([CH3:15])=[O:16])[CH2:12][CH2:13]2)[cH:6][cH:7]1)[c:26]1[n:25][c:24]2[c:23]([cH:22][c:21]([C:19]([O:18][CH3:17])=[O:20])[n:30]2[CH:31]([CH2:32][CH3:33])[CH2:34][CH3:35])[cH:28][n:27]1