HRID810254

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

HCID57336604

Methyl 5-fluoro-2-hydroxy-3-nitrobenzoate

C8H6FNO5

HCID58615933

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(F)cc([N+](=O)[O-])c1C#Cc1ccc(CN(C)C(=O)OC)cc1

HCID58615928

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cee46de92bcb48dfbc0c913a5167d30f
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

[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[CH3:1][O:2][C:3]([c:4]1[c:5]([OH:14])[c:6]([N+:11](=[O:12])[O-:13])[cH:7][c:8]([F:10])[cH:9]1)=[O:15].[CH3:46][O:47][C:48]([N:49]([CH3:50])[CH2:51][c:52]1[cH:53][cH:54][c:55]([C:58]#[CH:59])[cH:56][cH:57]1)=[O:60].[CH3:61][C:62]#[N:63].[F:23][C:24]([S:25]([O:26][S:27]([C:28]([F:29])([F:30])[F:31])(=[O:32])=[O:33])(=[O:34])=[O:35])([F:36])[F:37].[O-:38][S:39]([C:40]([F:41])([F:42])[F:43])(=[O:44])=[O:45]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([C:59]#[C:58][c:55]2[cH:54][cH:53][c:52]([CH2:51][N:49]([C:48]([O:47][CH3:46])=[O:60])[CH3:50])[cH:57][cH:56]2)[c:6]([N+:11](=[O:12])[O-:13])[cH:7][c:8]([F:10])[cH:9]1)=[O:15]