HRID664570

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

HCID20136253

2-Methoxy-4-(4-methylpiperazin-1-yl)aniline

C12H19N3O

HCID56655328

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCN(C)CC3)cc2OC)ncc1C(F)(F)F

HCID25074080

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2a84f7cb8a5407688002daded5aa148
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:39](=[O:40])([O-:41])[O-:42].[CH3:23][O:24][c:25]1[c:26]([NH2:27])[cH:28][cH:29][c:30]([N:32]2[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]2)[cH:31]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([C:19]([F:20])([F:21])[F:22])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH3:14])[cH:15][cH:16][cH:17][cH:18]2)[cH:7]1.[Cs+:43].[Cs+:44].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[O:53]=[C:54]([CH:55]=[CH:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)[CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[O:71]=[C:72]([CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)[CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[O:89]=[C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)[CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[Pd:51].[Pd:52]>>[c:2]1([NH:27][c:26]2[c:25]([O:24][CH3:23])[cH:31][c:30]([N:32]3[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]3)[cH:29][cH:28]2)[n:3][cH:4][c:5]([C:19]([F:20])([F:21])[F:22])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH3:14])[cH:15][cH:16][cH:17][cH:18]2)[cH:7]1