HRID1132505

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID92959

Benzenepropanoic acid, β-hydroxy-

C9H10O3

HCID423893

(2-nitrophenyl)methanamine

C7H8N2O2

HCID2734060

未命名化合物

PRODUCTS

生成物

结构：O=C(CC(O)c1ccccc1)NCc1ccccc1[N+](=O)[O-]

HCID67461894

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c0211a432454478ae1bc7c2d71c74b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:33][O:34][c:35]1[n:36][c:37]([O:38][CH3:39])[n:40][c:41]([N+:42]2([CH3:43])[CH2:44][CH2:45][O:46][CH2:47][CH2:48]2)[n:49]1.[Cl-:32].[ClH:1].[ClH:51].[N+:2](=[O:3])([O-:4])[c:5]1[c:6]([CH2:7][NH2:8])[cH:9][cH:10][cH:11][cH:12]1.[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH2:50].[OH:13][CH:14]([CH2:15][C:16](=[O:17])[OH:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[N+:2](=[O:3])([O-:4])[c:5]1[c:6]([CH2:7][NH:8][C:16]([CH2:15][CH:14]([OH:13])[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)=[O:17])[cH:9][cH:10][cH:11][cH:12]1