HRID89495

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID70541

1-(2,3-Xylyl)piperazine

C12H18N2

HCID81531

Diisopropylethylamine

C8H19N

HCID86639916

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(N2CCN(CCCc3cc(-c4ccccc4)n(C(C)(C)C)n3)CC2)c1C

HCID25064646

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75f47c4bf04048a58c788f653dc56826
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

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