HRID149731

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID58727793

未命名化合物

HCID58728656

未命名化合物

PRODUCTS

产物

HCID54584295

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0041d4f4cbbe4419b2d898acc42a6c3f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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