HRID197349

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7047

Quinoline

C9H7N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID23978

Copper

HCID31374

Dimethylacetamide

C4H9NO

HCID639745

4,5-DIFLUOROPHTHALIC ANHYDRIDE

C8H2F2O3

2 次

HCID643382

4,5-difluorophthalic acid

C8H4F2O4

2 次

HCID735965

2-Amino-4,5-difluorobenzoic acid

C7H5F2NO2

PRODUCTS

生成物

HCID99166

3,4-Difluorobenzoic acid

C7H4F2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90ebd081a8a148c5b67f5449c19ca981
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:84]([N:85]([CH3:86])[CH3:87])(=[O:88])[CH3:89].[CH3:67][N:68]1[CH2:69][CH2:70][CH2:71][C:72]1=[O:73].[Cu:90].[F:13][c:14]1[cH:15][c:16]2[c:22]([cH:23][c:24]1[F:25])[C:20](=[O:21])[O:19][C:17]2=[O:18].[F:1][c:2]1[cH:3][c:4]([NH2:12])[c:5]([C:6](=[O:7])[OH:8])[cH:9][c:10]1[F:11].[F:26][c:27]1[cH:28][c:29]([C:30]([OH:31])=[O:32])[c:33]([C:37]([OH:38])=[O:39])[cH:34][c:35]1[F:36].[F:40][c:41]1[cH:42][c:43]2[c:49]([cH:50][c:51]1[F:52])[C:47](=[O:48])[O:46][C:44]2=[O:45].[F:53][c:54]1[cH:55][c:56]([C:57]([OH:58])=[O:59])[c:60]([C:64]([OH:65])=[O:66])[cH:61][c:62]1[F:63].[cH:74]1[cH:75][c:76]2[c:77]([n:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][c:10]1[F:11]