HRID307631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

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+

HCID21071022

1-[4-Chloro-3-(1-methylethoxy)phenyl]piperazine

C13H19ClN2O

PRODUCTS

生成物

结构：Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(Cl)c(OC(C)C)c2)CC1

HCID21070984

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c763e92e9cad4bb8ad1d3c61c3eb5013
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Cl:25][c:26]1[c:27]([O:38][CH:39]([CH3:40])[CH3:41])[cH:28][c:29]([N:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[cH:30][cH:31]1.[Cl:42][c:43]1[c:44]([C:53]([F:54])([F:55])[F:56])[n:45][n:46]([CH2:49][C:50](=[O:51])[OH:52])[c:47]1[CH3:48].[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>>[Cl:25][c:26]1[c:27]([O:38][CH:39]([CH3:40])[CH3:41])[cH:28][c:29]([N:32]2[CH2:33][CH2:34][N:35]([C:50]([CH2:49][n:46]3[n:45][c:44]([C:53]([F:54])([F:55])[F:56])[c:43]([Cl:42])[c:47]3[CH3:48])=[O:51])[CH2:36][CH2:37]2)[cH:30][cH:31]1