HRID805088

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

结构：C[Si](C)(C)c1ccc(OS(=O)(=O)C(F)(F)F)c(F)c1

HCID59596436

未命名化合物

HCID59596465

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(Nc2ccc([Si](C)(C)C)cc2F)c2cncc(Cl)c2n1C

HCID59596531

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d939d8d7ec7e4d369028364fca355359
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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