HRID316916

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID61778

Bisulfate anion

HO4S-

HCID4641409

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

C10H15N6O+

HCID6916426

未命名化合物

HCID86652689

未命名化合物

PRODUCTS

生成物

结构：COC(CN(CCCC(=O)OC(C)(C)C)C(=O)C(C)Nc1ccc(Cl)c(Cl)c1)OC

HCID67074824

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b280d73e663a42788e5cab57a0aea093
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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