HRID1550798

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID75246

2-Naphthalenecarbonyl chloride

C11H7ClO

结构：COC(=O)c1cc(N)cc(Nc2ncccc2[N+](=O)[O-])c1

HCID22724064

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(NC(=O)c2ccc3ccccc3c2)cc(Nc2ncccc2[N+](=O)[O-])c1

HCID22724368

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ac76e9bace44b0182150f1654aec057
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:42](=[O:43])([OH:44])[O-:45].[CH2:47]1[O:48][CH2:49][CH2:50][O:51][CH2:52]1.[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[NH2:1][c:2]1[cH:3][c:4]([NH:12][c:13]2[n:14][cH:15][cH:16][cH:17][c:18]2[N+:19](=[O:20])[O-:21])[cH:5][c:6]([C:8](=[O:9])[O:10][CH3:11])[cH:7]1.[Na+:46].[cH:29]1[c:30]([C:39](=[O:40])[Cl:41])[cH:31][cH:32][c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]12>>[NH:1]([c:2]1[cH:3][c:4]([NH:12][c:13]2[n:14][cH:15][cH:16][cH:17][c:18]2[N+:19](=[O:20])[O-:21])[cH:5][c:6]([C:8](=[O:9])[O:10][CH3:11])[cH:7]1)[C:39]([c:30]1[cH:29][c:38]2[c:33]([cH:32][cH:31]1)[cH:34][cH:35][cH:36][cH:37]2)=[O:40]