HRID282815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

结构：O=C(O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1

HCID66562

Benzoic acid, 2-(4-chloro-3-nitrobenzoyl)-

C14H8ClNO5

HCID10704740

1-(Piperidin-4-yl)-1,4-dihydro-2H-3,1-benzoxazin-2-one

C13H16N2O2

PRODUCTS

生成物

结构：O=C(O)c1ccccc1C(=O)c1ccc(N2CCC(N3C(=O)OCc4ccccc43)CC2)c([N+](=O)[O-])c1

HCID9935760

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4e3d45b94924d79afd5063653372f67
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

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