HRID2319179

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID81531

Diisopropylethylamine

C8H19N

HCID517835

5-Chloro-4-fluoro-2-nitroaniline

C6H4ClFN2O2

HCID57461147

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)N1CCC(ON=C2CCN(c3cc(N)c([N+](=O)[O-])cc3F)CC2)CC1

HCID86655019

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3962f3d3e514cedb50a0af510b1ee4c
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

[CH3:42][S:43]([CH3:44])=[O:45].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[Cl:21][c:22]1[c:23]([F:32])[cH:24][c:25]([N+:29](=[O:30])[O-:31])[c:26]([NH2:28])[cH:27]1.[NH:1]1[CH2:2][CH2:3][C:4](=[N:7][O:8][CH:9]2[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][CH:18]([CH3:19])[CH3:20])[CH2:13][CH2:14]2)[CH2:5][CH2:6]1.[Na+:50].[O-:46][C:47]([OH:48])=[O:49]>>[N:1]1([c:22]2[c:23]([F:32])[cH:24][c:25]([N+:29](=[O:30])[O-:31])[c:26]([NH2:28])[cH:27]2)[CH2:2][CH2:3][C:4](=[N:7][O:8][CH:9]2[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][CH:18]([CH3:19])[CH3:20])[CH2:13][CH2:14]2)[CH2:5][CH2:6]1