HRID1125193

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7900

1-Methoxy-2-propanol

C4H10O2

HCID81531

Diisopropylethylamine

C8H19N

HCID23008792

4-[2-(4-Methyl-1-piperazinyl)ethoxy]benzenamine

C13H21N3O

HCID66711275

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(CCOc2ccc(Nc3ncc4ccc(-c5cccnc5)n4n3)cc2)CC1

HCID66711564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b09cc3948db47d88dde4c5a7e22b44e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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