HRID675149

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID76809

N-((1,1-Dimethylethoxy)carbonyl)-beta-alanine

C8H15NO4

HCID83298

5-Amino-2-nitrobenzoic acid

C7H6N2O4

结构：CC(C)(C)OC(=O)CCNC(=O)c1cc(NC(=O)CCNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-]

HCID19996354

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCC(=O)Nc1ccc([N+](=O)[O-])c(C(=O)O)c1

HCID54030903

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe869677e7d24c92b82ad7b010151fef
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

[C:1]([O:2][C:3](=[O:4])[CH2:5][CH2:6][NH:7][C:10]([c:11]1[c:12]([N+:30](=[O:31])[O-:32])[cH:13][cH:14][c:15]([NH:17][C:18]([CH2:19][CH2:20][NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[cH:16]1)=[O:33])([CH3:8])([CH3:9])[CH3:34].[C:35]([O:39][C:36]([NH:37][CH2:38][CH2:40][C:41]([OH:42])=[O:43])=[O:44])([CH3:45])([CH3:46])[CH3:47].[NH2:48][c:49]1[cH:50][cH:51][c:52]([N+:53]([O-:54])=[O:55])[c:56]([C:58]([OH:59])=[O:60])[cH:57]1>>[C:10]([c:11]1[c:12]([N+:30](=[O:31])[O-:32])[cH:13][cH:14][c:15]([NH:17][C:18]([CH2:19][CH2:20][NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[cH:16]1)([OH:33])=[O:39]