HRID114071

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID1302

(+/-)-Naproxen

C14H14O3

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID31337

2-(Hydroxymethyl)-2-nitro-1,3-propanediol

C4H9NO5

PRODUCTS

生成物

结构：COc1ccc2cc(C(C)C(=O)OCC(CO)(CO)[N+](=O)[O-])ccc2c1

HCID178487457

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d13e4d1b60f487182de6df9dfc8b18a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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