HRID1148109

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-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID43106828

未命名化合物

HCID67338204

未命名化合物

结构：CC(C)n1cc(C(=O)O)cc(-c2ccc(F)cc2)c1=O

HCID67338937

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(C(C)NC(=O)c2cc(-c3ccc(F)cc3)c(=O)n(C(C)C)c2)n1

HCID75169970

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac6ce0ba38174e5eb164c2454423ba4d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:42][c:43]1[n:44][o:45][c:46]([CH:48]([CH3:49])[NH2:50])[n:47]1.[CH:75]([N:76]([CH:77]([CH3:78])[CH3:79])[CH2:80][CH3:81])([CH3:82])[CH3:83].[ClH:41].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:6]2[c:7]([O:8][CH:9]([CH3:10])[CH3:11])[n:12][cH:13][c:14]([C:16]([OH:17])=[O:18])[cH:15]2)[cH:19][cH:20]1.[F:21][c:22]1[cH:23][cH:24][c:25](-[c:28]2[cH:29][c:30]([C:38](=[O:39])[OH:40])[cH:31][n:32]([CH:35]([CH3:36])[CH3:37])[c:33]2=[O:34])[cH:26][cH:27]1.[O:84]=[CH:85][N:86]([CH3:87])[CH3:88].[P-:51]([F:52])([F:53])([F:54])([F:55])([F:56])[F:57].[n:58]1([O:59][C:60]([N:61]([CH3:62])[CH3:63])=[N+:64]([CH3:65])[CH3:66])[c:67]2[n:68][cH:69][cH:70][cH:71][c:72]2[n:73][n:74]1>>[F:21][c:22]1[cH:23][cH:24][c:25](-[c:28]2[cH:29][c:30]([C:38](=[O:40])[NH:50][CH:48]([c:46]3[o:45][n:44][c:43]([CH3:42])[n:47]3)[CH3:49])[cH:31][n:32]([CH:35]([CH3:36])[CH3:37])[c:33]2=[O:34])[cH:26][cH:27]1