HRID830273

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID2737308

未命名化合物

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

结构：CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F

HCID44199408

未命名化合物

PRODUCTS

生成物

结构：CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(F)c3c2)c1F

HCID67155968

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e57c011f9c4548e184bad5a6752087ba
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

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