HRID154378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID21828700

tert-Butyl azetidine-3-carboxylate

C8H15NO2

HCID59164585

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C1CN(Cc2ccc(C#N)c(C(F)(F)F)c2)C1

HCID67456438

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a5b4c8628054eeea1fec05807755ac9
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:1][CH2:2][c:3]1[cH:4][c:5]([C:11]([F:12])([F:13])[F:14])[c:6]([C:7]#[N:8])[cH:9][cH:10]1.[CH3:36][N:37]([CH3:38])[CH:39]=[O:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH:27]([N:28]([CH:29]([CH3:30])[CH3:31])[CH2:32][CH3:33])([CH3:34])[CH3:35].[ClH:26].[NH:15]1[CH2:16][CH:17]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:18]1>>[CH2:2]([c:3]1[cH:4][c:5]([C:11]([F:12])([F:13])[F:14])[c:6]([C:7]#[N:8])[cH:9][cH:10]1)[N:15]1[CH2:16][CH:17]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:18]1