HRID1126073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID9973

Benzoic acid, 4-fluoro-

C7H5FO2

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID22015744

未命名化合物

PRODUCTS

生成物

结构：COCCN(C)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12

HCID10126553

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f1a212af8c34576ade3fc9a52c8d128
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

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