HRID694051

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID36336

1,4,7,10,13-Pentaoxacyclopentadecane

C10H20O5

HCID68007

Benzene, 1-(bromomethyl)-3-fluoro-

C7H6BrF

HCID166653

Hydride

H-

结构：O=C(NCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F

HCID6423744

未命名化合物

PRODUCTS

生成物

结构：O=C(N(CCc1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1)C(F)(F)F

HCID19353703

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a81c943535a45b195dff08659945f77
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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