HRID1543825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

结构：O=C(O)c1c(Nc2ccc(I)cc2F)c(F)c(=O)n2c1CCC2

HCID25265769

未命名化合物

HCID46856370

O-(2-tert-Butoxyethyl)hydroxylamine

C6H15NO2

PRODUCTS

生成物

结构：CC(C)(C)OCCONC(=O)c1c(Nc2ccc(I)cc2F)c(F)c(=O)n2c1CCC2

HCID57689806

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b4c7425b5f1471ab59fa021cb37ae95
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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