HRID679189

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1983

Acetaminophen

C8H9NO2

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：O=C(CCCO[N+](=O)[O-])Oc1c(F)c(F)c(F)c(F)c1F

HCID11522541

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(OC(=O)CCCO[N+](=O)[O-])cc1

HCID6918532

4-(acetylamino)phenyl 4-(nitrooxy)butanoate

C12H14N2O6

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6350d8d3e1f547f7aa7a099b260d1f80
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]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([OH:11])[cH:9][cH:10]1.[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:34][N:35]([c:36]1[cH:37][cH:38][n:39][cH:40][cH:41]1)[CH3:42].[Cl:43][CH2:44][Cl:45].[Cl:51][CH2:52][Cl:53].[ClH:33].[F:12][c:13]1[c:14]([O:19][C:20](=[O:15])[CH2:21][CH2:22][CH2:23][O:24][N+:25](=[O:26])[O-:27])[c:16]([F:17])[c:18]([F:28])[c:29]([F:30])[c:31]1[F:32]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([O:11][C:20](=[O:19])[CH2:21][CH2:22][CH2:23][O:24][N+:25](=[O:26])[O-:27])[cH:9][cH:10]1