HRID212016

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID121718

1-(4-(Trifluoromethyl)phenyl)piperazine

C11H13F3N2

HCID1876853

[4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid

C7H6ClF3N2O2

HCID4641409

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

C10H15N6O+

PRODUCTS

生成物

结构：Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

HCID21071099

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d3f80601ad84354b077e2010cc95ced
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Cl:41][c:42]1[c:43]([C:52]([F:53])([F:54])[F:55])[n:44][n:45]([CH2:48][C:49](=[O:50])[OH:51])[c:46]1[CH3:47].[F:25][C:26]([c:27]1[cH:28][cH:29][c:30]([N:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[cH:31][cH:32]1)([F:39])[F:40].[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]([c:27]1[cH:28][cH:29][c:30]([N:33]2[CH2:34][CH2:35][N:36]([C:49]([CH2:48][n:45]3[n:44][c:43]([C:52]([F:53])([F:54])[F:55])[c:42]([Cl:41])[c:46]3[CH3:47])=[O:50])[CH2:37][CH2:38]2)[cH:31][cH:32]1)([F:39])[F:40]