HRID206682

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID97478

1-(4-Chlorophenyl)piperazine

C10H13ClN2

HCID14042779

2-(Chloromethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C9H6ClF3N2

PRODUCTS

生成物

结构：FC(F)(F)c1ccc2nc(CN3CCN(c4ccc(Cl)cc4)CC3)cn2c1

HCID19367105

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c63cde6c42894207911e09f7d6e70582
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

[C:51]([O:52][CH2:53][CH3:54])(=[O:55])[CH3:56].[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[CH:31]([N:32]([CH:33]([CH3:34])[CH3:35])[CH2:36][CH3:37])([CH3:38])[CH3:39].[Cl:18][c:19]1[cH:20][cH:21][c:22]([N:25]2[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]2)[cH:23][cH:24]1.[Cl:1][CH2:2][c:3]1[n:4][c:5]2[n:6]([cH:7][c:8]([C:11]([F:12])([F:13])[F:14])[cH:9][cH:10]2)[cH:15]1.[ClH:16].[ClH:17]>>[CH2:2]([c:3]1[n:4][c:5]2[n:6]([cH:7][c:8]([C:11]([F:12])([F:13])[F:14])[cH:9][cH:10]2)[cH:15]1)[N:28]1[CH2:27][CH2:26][N:25]([c:22]2[cH:21][cH:20][c:19]([Cl:18])[cH:24][cH:23]2)[CH2:30][CH2:29]1