HRID1540740

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2779236

5-(2-Phenyleth-1-Ynyl)Nicotinic Acid

C14H9NO2

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID21448166

3-(Piperidin-4-yl)benzonitrile

C12H14N2

PRODUCTS

生成物

结构：N#Cc1cccc(C2CCN(C(=O)c3cncc(C#Cc4ccccc4)c3)CC2)c1

HCID67194490

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8de0f749f507471d820bbf8d17993eb8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[NH:51]1[CH2:52][CH2:53][CH:54]([c:57]2[cH:58][c:59]([C:60]#[N:61])[cH:62][cH:63][cH:64]2)[CH2:55][CH2:56]1.[P-:18]([F:19])([F:20])([F:21])([F:22])([F:23])[F:24].[c:1]1([C:7]#[C:8][c:9]2[cH:10][c:11]([C:15](=[O:16])[OH:17])[cH:12][n:13][cH:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[n:25]1([O:26][C:27]([N:28]([CH3:29])[CH3:30])=[N+:31]([CH3:32])[CH3:33])[c:34]2[n:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[c:1]1([C:7]#[C:8][c:9]2[cH:10][c:11]([C:15](=[O:17])[N:51]3[CH2:52][CH2:53][CH:54]([c:57]4[cH:58][c:59]([C:60]#[N:61])[cH:62][cH:63][cH:64]4)[CH2:55][CH2:56]3)[cH:12][n:13][cH:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1