HRID1125424

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID74151

N,N-Diethylglycine

C6H13NO2

HCID4293995

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

C11H14N3O5P

HCID5360545

Sodium

HCID19854182

未命名化合物

PRODUCTS

生成物

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

HCID66593555

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5719fe1ef51b409dba715843f979b4d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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