HRID112636

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

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+

HCID66782716

未命名化合物

HCID87259283

未命名化合物

PRODUCTS

生成物

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

HCID67074925

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bef71a7d340046b5b59e10150b820d68
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

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