HRID954620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID223

Ammonia ion (NH4+)

H4N+

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

HCID66969438

未命名化合物

结构：CCOCC(O)(C(=O)c1ccc(Cl)c(F)c1OC)C(F)(F)F

HCID68738901

未命名化合物

PRODUCTS

生成物

结构：CCOCC(O)(C(=Nc1cc(F)cc2[nH]c(=O)ccc12)c1ccc(Cl)c(F)c1OC)C(F)(F)F

HCID86630564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76235fcc9cdb48749067768e5ccd853c
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:49]1[O:50][CH2:51][CH2:52][O:53][CH2:54]1.[CH3:36][C:37](=[O:38])[OH:39].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:14][c:15]1[c:16]([F:35])[c:17]([O:33][CH3:34])[c:18]([C:21]([C:22]([C:23]([F:24])([F:25])[F:26])([OH:27])[CH2:28][O:29][CH2:30][CH3:31])=[O:32])[cH:19][cH:20]1.[F-:40].[NH2:1][c:2]1[c:3]2[cH:4][cH:5][c:6](=[O:13])[nH:7][c:8]2[cH:9][c:10]([F:12])[cH:11]1.[NH4+:41]>>[N:1]([c:2]1[c:3]2[cH:4][cH:5][c:6](=[O:13])[nH:7][c:8]2[cH:9][c:10]([F:12])[cH:11]1)=[C:21]([c:18]1[c:17]([O:33][CH3:34])[c:16]([F:35])[c:15]([Cl:14])[cH:20][cH:19]1)[C:22]([C:23]([F:24])([F:25])[F:26])([OH:27])[CH2:28][O:29][CH2:30][CH3:31]