HRID2128591

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7096

Phenylpiperazine

C10H14N2

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID18753216

未命名化合物

PRODUCTS

生成物

结构：N#Cc1c(NCCO)nc(NCc2cccnc2)nc1N1CCN(c2ccccc2)CC1

HCID18753201

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3cd18de61174621a07277a1f4989fbf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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