HRID959796

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID67661

4-Fluorosalicylic acid

C7H5FO3

HCID130500

未命名化合物

结构：Nc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1OCc1ccccc1

HCID58865047

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(NC(=O)c2ccc(F)cc2O)c(OCc2ccccc2)c1)OCC1c2ccccc2-c2ccccc21

HCID58865711

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc6ee173863b4b258d3e74980a7d5c6d
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:74][CH2:75][O:76][C:77]([CH3:78])=[O:79].[F:1][c:2]1[cH:3][c:4]([OH:11])[c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[P-:12]([F:13])([F:14])([F:15])([F:16])([F:17])[F:18].[cH:36]1[cH:37][cH:38][cH:39][c:40]2[c:48]1[CH:47]([CH2:49][O:50][C:51]([NH:52][c:53]1[cH:54][c:55]([O:60][CH2:61][c:62]3[cH:63][cH:64][cH:65][cH:66][cH:67]3)[c:56]([NH2:59])[cH:57][cH:58]1)=[O:68])[c:46]1[c:41]-2[cH:42][cH:43][cH:44][cH:45]1.[n:19]1([O:20][C:21]([N:22]([CH3:23])[CH3:24])=[N+:25]([CH3:26])[CH3:27])[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1>>[F:1][c:2]1[cH:3][c:4]([OH:11])[c:5]([C:6](=[O:8])[NH:59][c:56]2[c:55]([O:60][CH2:61][c:62]3[cH:63][cH:64][cH:65][cH:66][cH:67]3)[cH:54][c:53]([NH:52][C:51]([O:50][CH2:49][CH:47]3[c:46]4[c:41]([cH:42][cH:43][cH:44][cH:45]4)-[c:40]4[cH:39][cH:38][cH:37][cH:36][c:48]43)=[O:68])[cH:58][cH:57]2)[cH:9][cH:10]1