HRID1232825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID242828

4-Fluoro-3-methylbenzoic acid

C8H7FO2

HCID4641409

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

C10H15N6O+

HCID67773358

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)N(C)C(C)(CN2CC(O)C2)C(C)C)ccc1F

HCID67775903

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5825bed12cb642aaacc7dd25a3a879f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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