HRID116413

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID20064

1-(Ethoxycarbonyl)hydrazine

C3H8N2O2

HCID123351

Perchlorate

ClO4-

结构：C[N+](C)=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])o1

HCID20326262

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])o1

HCID54432090

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64d7888a1954494c89373a5d00a5accd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:34]([NH:35][NH2:36])(=[O:37])[O:38][CH2:39][CH3:40].[CH3:30][C:31](=[O:32])[O-:33].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[Cl+3:1]([O-:2])([O-:3])([O-:4])[O-:5].[N+:6](=[O:7])([O-:8])[c:9]1[cH:10][cH:11][c:12](-[c:14]2[n:15][n:16](-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:17][c:18]2[CH:19]=[N+:20]([CH3:21])[CH3:22])[o:13]1.[Na+:29].[OH2:46]>>[N+:6](=[O:7])([O-:8])[c:9]1[cH:10][cH:11][c:12](-[c:14]2[n:15][n:16](-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:17][c:18]2[CH:19]=[N:36][NH:35][C:34](=[O:37])[O:38][CH2:39][CH3:40])[o:13]1