HRID169164

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

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

HCID583466

2-Chloro-5-fluoropyrimidine

C4H2ClFN2

HCID67103564

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)N(c2ncc(F)cn2)CC1C(=O)OC(C)(C)C

HCID67103191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8db80a8d163f44589cf7334844a9b4b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:23](=[O:24])([O-:25])[O-:26].[CH2:29]1[O:30][CH2:31][CH2:32][O:33][CH2:34]1.[CH3:1][N:2]1[C:3](=[O:14])[NH:4][CH2:5][CH:6]1[C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13].[Cl:15][c:16]1[n:17][cH:18][c:19]([F:22])[cH:20][n:21]1.[Cs+:27].[Cs+:28].[O:38]=[C:39]([CH:40]=[CH:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[CH:48]=[CH:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]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.[OH2:35].[Pd:36].[Pd:37]>>[CH3:1][N:2]1[C:3](=[O:14])[N:4]([c:16]2[n:17][cH:18][c:19]([F:22])[cH:20][n:21]2)[CH2:5][CH:6]1[C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13]