HRID1134215

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

HCID9707

2-Fluorophenol

C6H5FO

HCID19660

Carbonate

CO3-2

结构：O=C(Nc1cc(F)c(OCc2ccccc2)cc1[N+](=O)[O-])c1cnccn1

HCID23145743

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cc(Oc2ccccc2F)c(OCc2ccccc2)cc1[N+](=O)[O-])c1cnccn1

HCID23145658

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-747c7ae9632349a79dcfd2e52ecb6788
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:9](=[O:10])([O-:11])[O-:12].[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[O:27][c:28]1[cH:29][c:30]([N+:44](=[O:45])[O-:46])[c:31]([NH:35][C:36](=[O:37])[c:38]2[n:39][cH:40][cH:41][n:42][cH:43]2)[cH:32][c:33]1[F:34].[CH3:15][N:16]([CH3:17])[CH:18]=[O:19].[F:1][c:2]1[c:3]([OH:8])[cH:4][cH:5][cH:6][cH:7]1.[K+:13].[K+:14].[OH2:47]>>[F:1][c:2]1[c:3]([O:8][c:33]2[c:28]([O:27][CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:29][c:30]([N+:44](=[O:45])[O-:46])[c:31]([NH:35][C:36](=[O:37])[c:38]3[n:39][cH:40][cH:41][n:42][cH:43]3)[cH:32]2)[cH:4][cH:5][cH:6][cH:7]1