HRID170844

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID123558

2,5-Difluorobenzonitrile

C7H3F2N

HCID59840682

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cc(F)ccc1N1CCc2ncnc(NCc3ccc(C(F)(F)F)nc3)c2C1

HCID25062143

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac2f391d6b36433d9fb4737910b37d5f
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

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