HRID109408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID222701

2-bromoisonicotinic acid

C6H4BrNO2

HCID4641409

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

C10H15N6O+

HCID22252234

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(F)cc2)c2oc(NC(=O)c3ccnc(Br)c3)nc12

HCID22252261

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4138e431f8384edca873903187ce94d9
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

[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][n:10]1.[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.[F:44][c:45]1[cH:46][cH:47][c:48](-[c:51]2[cH:52][cH:53][c:54]([O:61][CH3:62])[c:55]3[n:56][c:57]([NH2:60])[o:58][c:59]23)[cH:49][cH:50]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].[OH2:79].[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>>[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:60][c:57]2[n:56][c:55]3[c:54]([O:61][CH3:62])[cH:53][cH:52][c:51](-[c:48]4[cH:47][cH:46][c:45]([F:44])[cH:50][cH:49]4)[c:59]3[o:58]2)[cH:8][cH:9][n:10]1