HRID154965

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8019

2-Methoxyethanol

C3H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID57416156

2-Methoxy-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]aniline

C17H28N4O

HCID66710791

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N2CCN(C3CCN(C)CC3)CC2)ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1

HCID66710680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e8450bfc2d949658c14c029ccc871ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][O:2][c:3]1[c:4]([NH2:22])[cH:5][cH:6][c:7]([N:9]2[CH2:10][CH2:11][N:12]([CH:15]3[CH2:16][CH2:17][N:18]([CH3:21])[CH2:19][CH2:20]3)[CH2:13][CH2:14]2)[cH:8]1.[CH3:23][S:24](=[O:25])[c:26]1[n:27][n:28]2[c:29]([cH:30][n:31]1)[cH:32][cH:33][c:34]2-[c:35]1[c:36]([O:41][CH3:42])[cH:37][cH:38][cH:39][cH:40]1.[CH3:52][O:53][CH2:54][CH2:55][OH:56].[CH3:57][OH:58].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51]>>[CH3:1][O:2][c:3]1[c:4]([NH:22][c:26]2[n:27][n:28]3[c:29]([cH:30][n:31]2)[cH:32][cH:33][c:34]3-[c:35]2[c:36]([O:41][CH3:42])[cH:37][cH:38][cH:39][cH:40]2)[cH:5][cH:6][c:7]([N:9]2[CH2:10][CH2:11][N:12]([CH:15]3[CH2:16][CH2:17][N:18]([CH3:21])[CH2:19][CH2:20]3)[CH2:13][CH2:14]2)[cH:8]1