HRID1201058

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID9815374

2-Ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine

C10H13N3

结构：O=[N+]([O-])c1ccccc1-c1cc(Cl)c2cc(CBr)ccc2n1

HCID15384399

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2c(C)cc(C)nc2n1Cc1ccc2nc(-c3ccccc3[N+](=O)[O-])cc(Cl)c2c1

HCID15384400

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0beede9cd0b4db29903adc555f0e109
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

[CH2:6]([CH3:7])[c:8]1[nH:9][c:10]2[c:11]([n:12][c:13]([CH3:17])[cH:14][c:15]2[CH3:16])[n:18]1.[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[Cl:21][c:22]1[cH:23][c:24](-[c:34]2[c:35]([N+:40](=[O:41])[O-:42])[cH:36][cH:37][cH:38][cH:39]2)[n:25][c:26]2[cH:27][cH:28][c:29]([CH2:32][Br:33])[cH:30][c:31]12.[H-:19].[Na+:20].[OH2:49]>>[CH2:6]([CH3:7])[c:8]1[n:9][c:10]2[c:11]([n:12][c:13]([CH3:17])[cH:14][c:15]2[CH3:16])[n:18]1[CH2:32][c:29]1[cH:28][cH:27][c:26]2[n:25][c:24](-[c:34]3[c:35]([N+:40](=[O:41])[O-:42])[cH:36][cH:37][cH:38][cH:39]3)[cH:23][c:22]([Cl:21])[c:31]2[cH:30]1