HRID1238613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID55301814

未命名化合物

结构：NC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

HCID57904750

未命名化合物

PRODUCTS

生成物

结构：CN(CCF)C(=O)C(=O)NC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

HCID57904985

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bd8c009695c4e6a889d898f22db9500
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:71][N:72]([CH3:73])[c:74]1[cH:75][cH:76][n:77][cH:78][cH:79]1.[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[ClH:85].[F:28][CH2:29][CH2:30][N:31]([C:32]([C:33](=[O:34])[OH:35])=[O:36])[CH3:37].[NH2:1][C:2]12[c:3]3[n:4]([c:11](=[O:27])[c:12]([OH:26])[c:13]([C:15](=[O:16])[NH:17][CH2:18][c:19]4[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]4)[n:14]3)[CH2:5][CH:6]([CH2:7][CH2:8]1)[CH2:9][CH2:10]2.[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[n:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[NH:1]([C:2]12[c:3]3[n:4]([c:11](=[O:27])[c:12]([OH:26])[c:13]([C:15](=[O:16])[NH:17][CH2:18][c:19]4[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]4)[n:14]3)[CH2:5][CH:6]([CH2:7][CH2:8]1)[CH2:9][CH2:10]2)[C:33]([C:32]([N:31]([CH2:30][CH2:29][F:28])[CH3:37])=[O:36])=[O:34]