HRID1210071

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID70544

1-(2,4-Xylyl)piperazine

C12H18N2

HCID81531

Diisopropylethylamine

C8H19N

HCID42631135

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(N2CCN(CCCc3cc(-c4ccccc4)n(-c4ccccc4)n3)CC2)c(C)c1

HCID25065047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af3fba7c7b214574b3918126838dda3f
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

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