HRID798914

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2797131

3-(chloromethyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole

C10H9ClN2O2

HCID69064127

未命名化合物

PRODUCTS

产物

HCID44177591

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7a2f1d52d8b14ec5bfe10c70ac896b99
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

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