HRID190266

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID613657

6-chloro-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

C6H2ClF3N4

HCID67340063

1-[1-(4-Fluorophenyl)-1-methylethyl]piperazine

C13H19FN2

PRODUCTS

生成物

结构：CC(C)(c1ccc(F)cc1)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1

HCID59149794

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c61ae601e0b94520b9f09586f413e8bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH:15]([N:16]([CH2:17][CH3:18])[CH:19]([CH3:20])[CH3:21])([CH3:22])[CH3:23].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([C:11]([F:12])([F:13])[F:14])[n:9][n:10]2.[F:24][c:25]1[cH:26][cH:27][c:28]([C:31]([CH3:32])([CH3:33])[N:34]2[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]2)[cH:29][cH:30]1.[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[c:2]1([N:37]2[CH2:36][CH2:35][N:34]([C:31]([c:28]3[cH:27][cH:26][c:25]([F:24])[cH:30][cH:29]3)([CH3:32])[CH3:33])[CH2:39][CH2:38]2)[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([C:11]([F:12])([F:13])[F:14])[n:9][n:10]2