HRID97958

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID70541

1-(2,3-Xylyl)piperazine

C12H18N2

HCID81531

Diisopropylethylamine

C8H19N

结构：O=CCCc1cc(-c2ccc(F)cc2)n(-c2ccccc2)n1

HCID86639924

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(N2CCN(CCCc3cc(-c4ccc(F)cc4)n(-c4ccccc4)n3)CC2)c1C

HCID25064429

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19f0cbca89a242faac09e9327f361f09
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

[CH3:23][c:24]1[c:25]([N:31]2[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]2)[cH:26][cH:27][cH:28][c:29]1[CH3:30].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([CH2:19][CH2:20][CH:21]=[O:22])[n:11][n:12]2-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([CH2:19][CH2:20][CH2:21][N:34]3[CH2:33][CH2:32][N:31]([c:25]4[c:24]([CH3:23])[c:29]([CH3:30])[cH:28][cH:27][cH:26]4)[CH2:36][CH2:35]3)[n:11][n:12]2-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:6][cH:7]1