HRID105242

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID70544

1-(2,4-Xylyl)piperazine

C12H18N2

HCID81531

Diisopropylethylamine

C8H19N

HCID86639931

未命名化合物

PRODUCTS

生成物

结构：CCCc1cc(CCCN2CCN(c3ccc(C)cc3C)CC2)nn1-c1ccccc1

HCID68556003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3d329798b42495db3bde3d665b6efa1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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