HRID117889

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+

HCID12200470

1-(6-Methoxypyridin-2-yl)piperazine

C10H15N3O

PRODUCTS

生成物

结构：COc1cccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)n1

HCID21071103

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33387cffb80b43db8afad943fc26ede9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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