HRID2314692

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+

HCID57642792

1-(4-Chloro-2-fluoro-5-methoxyphenyl)piperazine

C11H14ClFN2O

PRODUCTS

生成物

结构：COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c(F)cc1Cl

HCID57840213

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7155ea07192041e881e4b9f196c6c1e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Cl:25][c:26]1[cH:27][c:28]([F:40])[c:29]([N:34]2[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]2)[cH:30][c:31]1[O:32][CH3:33].[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].[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[cH:27][c:28]([F:40])[c:29]([N:34]2[CH2:35][CH2:36][N:37]([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])[CH2:38][CH2:39]2)[cH:30][c:31]1[O:32][CH3:33]