HRID290518

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID550697

2,2-Dimethyl-1,3-oxazolidine

C5H11NO

结构：CNc1ccc(Oc2ccnc(C(=O)O)c2)cc1[N+](=O)[O-]

HCID22040497

4-[4-(Methylamino)-3-nitrophenoxy]pyridine-2-carboxylic acid

C13H11N3O5

PRODUCTS

生成物

结构：CNc1ccc(Oc2ccnc(C(=O)NCCO)c2)cc1[N+](=O)[O-]

HCID21037330

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09bd75803b1a4051a765403b217687da
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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