HRID1234617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID70541

1-(2,3-Xylyl)piperazine

C12H18N2

HCID81531

Diisopropylethylamine

C8H19N

HCID86639917

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2cc(CCCN3CCN(c4cccc(C)c4C)CC3)nn2C(C)(C)C)cc1

HCID25065456

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3763023c1984103a06c8cf898cfe599
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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