HRID112631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID7096

Phenylpiperazine

C10H14N2

结构：COc1ccc(C=CC(=O)c2ccc(OCC3CO3)cc2)cc1OC

HCID86761185

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C=CC(=O)c2ccc(OCC(O)CN3CCN(c4ccccc4)CC3)cc2)cc1OC

HCID68643698

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52f67467954b465f9a70bf9c1ae90003
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

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