HRID816659

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID80972

Ethane, 1-bromo-2-methoxy-

C3H7BrO

HCID81531

Diisopropylethylamine

C8H19N

HCID105034

Isocyanate

CNO-

HCID16040882

未命名化合物

PRODUCTS

产物

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID16119388

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0d9c8b98ed114129b21979a421b422fe
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

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