HRID1547070

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID70541

1-(2,3-Xylyl)piperazine

C12H18N2

HCID81531

Diisopropylethylamine

C8H19N

HCID86639919

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cc(CCCN3CCN(c4cccc(C)c4C)CC3)nn2C(C)(C)C)cc1

HCID25066088

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30933e64d639493a8ca3f6b6a9ce1026
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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