HRID1144347

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID587090

5-Fluoro-2-nitrobenzaldehyde

C7H4FNO3

结构：CCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1O

HCID59201037

未命名化合物

PRODUCTS

生成物

结构：CCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc([N+](=O)[O-])c(C=O)c1

HCID86639410

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d78717a4869645c085d7cf4e484e050a
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

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