HRID94262

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

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+

HCID5462222

Potassium

HCID19811946

5-Methyl-1,3,4-oxadiazole-2-carboxylic acid

C4H4N2O3

结构：CC(N)C(Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1

HCID72258715

未命名化合物

PRODUCTS

生成物

结构：Cc1nnc(C(=O)NC(C)C(Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)c2ccccc2)o1

HCID72258651

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c046f310e9434584a65bca8a0047d0ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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