HRID2155864

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID15458

tert-Butyl acrylate

C7H12O2

HCID81531

Diisopropylethylamine

C8H19N

结构：N#Cc1nc(-c2cccc(C(F)(F)F)c2)cc(N2CCNCC2)n1

HCID16040882

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CCN1CCN(c2cc(-c3cccc(C(F)(F)F)c3)nc(C#N)n2)CC1

HCID58878068

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7170f24686ee47518630dd4ff62454d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:32]([CH:33]=[CH2:34])(=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[CH3:55][OH:56].[CH:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][CH3:47])([CH3:48])[CH3:49].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O: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][NH:11][CH2:12][CH2:13]1>>[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]([CH2:34][CH2:33][C:32](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:12][CH2:13]1