HRID300132

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID70544

1-(2,4-Xylyl)piperazine

C12H18N2

HCID81531

Diisopropylethylamine

C8H19N

HCID86639920

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cc(CCCN3CCN(c4ccc(C)cc4C)CC3)nn2-c2ccccc2)cc1

HCID25066308

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0fd62bd796c64c10bd92cff9b1388ba9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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[c:26]([N:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[cH:27][cH:28][c:29]([CH3:31])[cH:30]1.[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:26]4[c:25]([CH3:24])[cH:30][c:29]([CH3:31])[cH:28][cH:27]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