HRID2129366

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID202185

1,3,4-Oxadiazole, 2-amino-5-(2-furyl)-

C6H5N3O2

HCID723163

未命名化合物

HCID4641409

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

C10H15N6O+

PRODUCTS

生成物

结构：O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccc(F)cc2)nc2ccccc12

HCID67204157

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90e4f8f136bd452ca2e6116dcacf8afa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[F:55][c:56]1[cH:57][cH:58][c:59](-[c:62]2[n:63][c:64]3[cH:65][cH:66][cH:67][cH:68][c:69]3[c:70]([C:72](=[O:73])[OH:74])[cH:71]2)[cH:60][cH:61]1.[NH2:1][c:2]1[o:3][c:4](-[c:7]2[o:8][cH:9][cH:10][cH:11]2)[n:5][n:6]1.[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[OH2:75].[OH:12][n:13]1[c:14]2[n:15][cH:16][cH:17][cH:18][c:19]2[n:20][n:21]1.[P-:22]([F:23])([F:24])([F:25])([F:26])([F:27])[F:28].[n:29]1([O:30][C:31]([N:32]([CH3:33])[CH3:34])=[N+:35]([CH3:36])[CH3:37])[c:38]2[n:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1>>[NH:1]([c:2]1[o:3][c:4](-[c:7]2[o:8][cH:9][cH:10][cH:11]2)[n:5][n:6]1)[C:72]([c:70]1[c:69]2[c:64]([n:63][c:62](-[c:59]3[cH:58][cH:57][c:56]([F:55])[cH:61][cH:60]3)[cH:71]1)[cH:65][cH:66][cH:67][cH:68]2)=[O:73]