HRID91085

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID122573

3,5-Bis(trifluoromethyl)benzyl bromide

C9H5BrF6

HCID18922371

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CCC(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccc(F)cc1

HCID178498132

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec771c6cda7a49498219f5b98aab6236
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:43][C:44]#[N:45].[CH:18]([N:19]([CH2:20][CH3:21])[CH:22]([CH3:23])[CH3:24])([CH3:25])[CH3:26].[F:27][C:28]([c:29]1[cH:30][c:31]([CH2:32][Br:33])[cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]1)([F:41])[F:42].[NH2:1][CH:2]1[CH:3]([c:11]2[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]2)[CH:4]([C:7](=[O:8])[O:9][CH3:10])[CH2:5][CH2:6]1>>[NH:1]([CH:2]1[CH:3]([c:11]2[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]2)[CH:4]([C:7](=[O:8])[O:9][CH3:10])[CH2:5][CH2:6]1)[CH2:32][c:31]1[cH:30][c:29]([C:28]([F:27])([F:41])[F:42])[cH:36][c:35]([C:37]([F:38])([F:39])[F:40])[cH:34]1