HRID2128291

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID123587

3,5-Bis(trifluoromethyl)phenylacetic acid

C10H6F6O2

HCID4641409

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

C10H15N6O+

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN

HCID59135127

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CNC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID86615397

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cccef3a8656497086a20bbf20cecdb4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:78][CH2:79][O:80][C:81]([CH3:82])=[O:83].[CH:19]([N:20]([CH2:21][CH3:22])[CH:23]([CH3:24])[CH3:25])([CH3:26])[CH3:27].[CH:52]([CH3:53])([CH3:54])[c:55]1[cH:56][cH:57][c:58]([O:73][CH3:74])[c:59](-[c:61]2[c:62]([CH2:71][NH2:72])[cH:63][c:64]([C:67]([F:68])([F:69])[F:70])[cH:65][cH:66]2)[cH:60]1.[Cl:75][CH2:76][Cl:77].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:13][C:14](=[O:15])[OH:16])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:17])[F:18].[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[n:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:13][C:14](=[O:15])[NH:72][CH2:71][c:62]2[c:61](-[c:59]3[c:58]([O:73][CH3:74])[cH:57][cH:56][c:55]([CH:52]([CH3:53])[CH3:54])[cH:60]3)[cH:66][cH:65][c:64]([C:67]([F:68])([F:69])[F:70])[cH:63]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:17])[F:18]