HRID299759

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

HCID2762876

5-fluoropyridine-2-carboxylic Acid

C6H4FNO2

HCID4641409

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

C10H15N6O+

结构：CC(C)(C)OC(=O)NC1=NC2(c3cc(N)ccc3F)OCCC2CS1

HCID123188868

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1=NC2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)OCCC2CS1

HCID123155127

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab680399ab8c4f4a98a2cdd405c828e9
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

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