HRID676326

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID83111

1-(m-Tolyl)piperazine

C11H16N2

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：Cc1cccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c1

HCID21071106

2-[4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-[4-(3-methylphenyl)-1-piperazinyl]ethanone

C18H20ClF3N4O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cbd1b4a0e4ee48f08483b5cfc6a124ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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