HRID835196

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID608544

5-bromopyridine-2-carboxylic acid

C6H4BrNO2

HCID4641409

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

C10H15N6O+

结构：CC(C)(C)OC(=O)NC1=NC2(c3cc(N)ccc3F)OCCC2CS1

HCID123188868

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1=NC2(c3cc(NC(=O)c4ccc(Br)cn4)ccc3F)OCCC2CS1

HCID123900054

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0645634ebb041c198e8fec6902b94f2
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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