HRID2325517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

结构：O=[N+]([O-])c1cc2nc(Cl)[nH]c2cc1[N+](=O)[O-]

HCID267810

2-Chloro-5,6-dinitrobenzimidazole

C7H3ClN4O4

结构：ClC1OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

HCID12799403

1-chloro-Tri-2,3,5-O-benzyl-D-arabofuranose

C26H27ClO4

PRODUCTS

生成物

结构：O=[N+]([O-])c1cc2nc(Cl)n(C3OC(COCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)c2cc1[N+](=O)[O-]

HCID178526405

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16ad97d2e7ce48fba1b301783aac79ea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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