HRID2318588

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID77922

tert-Butyl carbamate

C5H11NO2

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

结构：CCc1nc2c(F)ccc(OCC(=O)OC)c2c(OC(F)F)c1Cc1ccc(Br)cc1

HCID66717642

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2c(F)ccc(OCC(=O)OC)c2c(OC(F)F)c1Cc1ccc(NC(=O)OC(C)(C)C)cc1

HCID67457395

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3824094934fe4f679128dc67a16b65a4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37]([NH2:38])=[O:39].[C:40](=[O:41])([O-:42])[O-:43].[CH2:46]1[O:47][CH2:48][CH2:49][O:50][CH2:51]1.[CH3:108][C:109](=[O:110])[OH:111].[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]2[c:8]([O:27][CH:28]([F:29])[F:30])[c:9]([CH2:19][c:20]3[cH:21][cH:22][c:23]([Br:26])[cH:24][cH:25]3)[c:10]([CH2:17][CH3:18])[n:11][c:12]2[c:13]([F:16])[cH:14][cH:15]1)=[O:31].[Cs+:44].[Cs+:45].[O:54]=[C:55]([CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)[CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[O:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:52].[Pd:53]>>[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]2[c:8]([O:27][CH:28]([F:29])[F:30])[c:9]([CH2:19][c:20]3[cH:21][cH:22][c:23]([NH:38][C:37]([O:36][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:39])[cH:24][cH:25]3)[c:10]([CH2:17][CH3:18])[n:11][c:12]2[c:13]([F:16])[cH:14][cH:15]1)=[O:31]