HRID2315584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID166653

Hydride

H-

HCID22477858

未命名化合物

HCID50994115

1,8-Dioxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid

C8H11NO4

PRODUCTS

生成物

结构：O=C(Nc1ccc(-c2ccccc2F)cc1[N+](=O)[O-])C1=NOC2(CCOCC2)C1

HCID59280083

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-392bd93ff373434c87070a3e283ab39e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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