HRID181715

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID97478

1-(4-Chlorophenyl)piperazine

C10H13ClN2

HCID86639916

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)n1nc(CCCN2CCN(c3ccc(Cl)cc3)CC2)cc1-c1ccccc1

HCID25064643

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b91a76a867d407e997e795b60a16818
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:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[n:6][c:7]([CH2:16][CH2:17][CH:18]=[O:19])[cH:8][c:9]1-[c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:20][c:21]1[cH:22][cH:23][c:24]([N:27]2[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]2)[cH:25][cH:26]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[n:6][c:7]([CH2:16][CH2:17][CH2:18][N:30]2[CH2:29][CH2:28][N:27]([c:24]3[cH:23][cH:22][c:21]([Cl:20])[cH:26][cH:25]3)[CH2:32][CH2:31]2)[cH:8][c:9]1-[c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1