HRID139569

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+

HCID68423757

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl

HCID57840458

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ce4eb812778438c8e5d72f43c049876
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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