HRID1224167

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID557

1-methylpyrrolidine-2-carboxylic acid

C6H11NO2

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID4293995

3-[(Diethoxyphosphoryl)oxy]-1,2,3-benzotriazin-4(3H)-one

C11H14N3O5P

HCID19854182

未命名化合物

PRODUCTS

生成物

结构：CCN(C(=O)C1CCCN1C)c1ccc(N)c([N+](=O)[O-])c1

HCID66593823

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-719aba2277f446b28702f0e06100b3d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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