HRID300516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl Acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID556888

1-Aminocyclopropanecarbonitrile

C4H6N2

HCID4641409

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

C10H15N6O+

HCID178525652

未命名化合物

PRODUCTS

产物

HCID178510656

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ad7f2cd7013c4e919e0b11cd41d5b0b2
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

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