HRID312307

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2779901

6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid

C9H7FO4

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID10921653

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(NC(=O)c2cc(F)cc3c2OCOC3)Cc2ccccc2C1

HCID59314369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-193ed679f3524de1b20c38842e6ba1f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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