HRID1224786

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

HCID59596525

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(Nc2ccc([Si](C)(C)C)cc2F)c2cnccc2n1C

HCID59596497

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7045da9a84ee4ddc9a396a38c4ef3acc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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