HRID203446

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID521016

2-Fluoro-5-(trifluoromethyl)benzonitrile

C8H3F4N

HCID59840682

未命名化合物

PRODUCTS

生成物

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

HCID25061874

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08772fa347694da68024439bda1b6526
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:45][C:46]#[N:47].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[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]([C:32]([F:33])([F:34])[F:35])[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]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]2)[CH2:20]3)[cH:7][n:8]1)([F:21])[F:22]