HRID207481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9257

1H-1,2,4-Triazole

C2H3N3

HCID166653

Hydride

H-

结构：CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc2[n+]([O-])c1CCl

HCID21851158

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc2[n+]([O-])c1Cn1cncn1

HCID22097599

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76a8bc445f72495db8a48fb92405f6d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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