HRID173228

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID81531

Diisopropylethylamine

C8H19N

HCID84468

Trifluoroacetate

C2F3O2-

HCID2063634

2-Bromo-1-(5-chlorothiophen-2-yl)ethan-1-one

C6H4BrClOS

HCID69064127

未命名化合物

PRODUCTS

产物

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID24898104

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-86712af5973b4f3eb1f2ddc33073d095
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[Br:44][CH2:45][C:46](=[O:47])[c:48]1[s:49][c:50]([Cl:53])[cH:51][cH:52]1.[CH3:61][C:62]#[N:63].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F: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.[O-:54][C:55]([C:56]([F:57])([F:58])[F:59])=[O:60]>>[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F: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][N:32]([CH2:45][C:46](=[O:47])[c:48]3[s:49][c:50]([Cl:53])[cH:51][cH:52]3)[CH2:33][CH2:34]2)[cH:11][cH:12][c:13]([S:15](=[O:16])(=[O:17])[CH3:18])[cH:14]1