HRID949065

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1N

HCID9882425

4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2,6-dimethylaniline

C11H10F7N

HCID10976570

2-Fluoro-5-nitrobenzoyl chloride

C7H3ClFNO3

HCID21942565

3-Cyano-5-nitrobenzoic acid

C8H4N2O4

PRODUCTS

生成物

结构：Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1cc(C#N)cc([N+](=O)[O-])c1

HCID59226940

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-318bd24de5ad43dfbe0413113084198e
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][c:10]([N+:12](=[O:13])[O-:14])[cH:11]1.[C:59](=[O:60])([O-:61])[OH:62].[CH3:21][c:22]1[c:23]([NH2:24])[c:25]([CH3:39])[cH:26][c:27]([C:29]([C:30]([F:31])([F:32])[F:33])([C:34]([F:35])([F:36])[F:37])[F:38])[cH:28]1.[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[Cl:15][C:16]([C:17]([Cl:18])=[O:19])=[O:20].[Cl:64][CH2:65][Cl:66].[F:46][c:47]1[cH:48][cH:49][c:50]([N+:51]([O-:52])=[O:53])[cH:54][c:55]1[C:56]([Cl:57])=[O:58].[Na+:63].[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1.[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:6](=[O:8])[NH:24][c:23]2[c:22]([CH3:21])[cH:28][c:27]([C:29]([C:30]([F:31])([F:32])[F:33])([C:34]([F:35])([F:36])[F:37])[F:38])[cH:26][c:25]2[CH3:39])[cH:9][c:10]([N+:12](=[O:13])[O-:14])[cH:11]1