HRID305085

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID123238

1-Azabicyclo[2.2.2]octan-3-amine

C7H14N2

HCID4641409

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

C10H15N6O+

HCID13190726

6-Nitro-1-benzofuran-2-carboxylic acid

C9H5NO5

PRODUCTS

生成物

结构：O=C(NC1CN2CCC1CC2)c1cc2ccc([N+](=O)[O-])cc2o1

HCID72259140

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7226852fc12e4b54a26ab05d5e48737e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[ClH:16].[ClH:17].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]2[c:7]([cH:8][c:9]([C:11](=[O:12])[OH:13])[o:10]2)[cH:14][cH:15]1.[NH2:18][CH:19]1[CH2:20][N:21]2[CH2:22][CH2:23][CH:24]1[CH2:25][CH2:26]2.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[n:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]2[c:7]([cH:8][c:9]([C:11](=[O:13])[NH:18][CH:19]3[CH2:20][N:21]4[CH2:22][CH2:23][CH:24]3[CH2:25][CH2:26]4)[o:10]2)[cH:14][cH:15]1