HRID1214360

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

HCID6328

Methyl iodide

CH3I

HCID166653

Hydride

H-

结构：O=C(Nc1ccc(OCCCCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1OCc1ccccc1

HCID23124755

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)c1cccc([N+](=O)[O-])c1OCc1ccccc1)c1ccc(OCCCCc2ccccc2)cc1

HCID23124670

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4a0d867936141f18746926b97f19977
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

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