HRID102593

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID2723782

1-(3,4-Xylyl)piperazine

C12H18N2

HCID86639920

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cc(CCCN3CCN(c4ccc(C)c(C)c4)CC3)nn2-c2ccccc2)cc1

HCID25066309

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df4664f853224033b7405dbfb339c3db
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

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