HRID141570

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID7096

Phenylpiperazine

C10H14N2

HCID15413

Methyl tert-butyl ether

C5H12O

结构：COc1cc2oc(=O)c(CCOS(C)(=O)=O)c(C)c2c(OC)c1OC

HCID19428166

未命名化合物

PRODUCTS

生成物

结构：COc1cc2oc(=O)c(CCN3CCN(c4ccccc4)CC3)c(C)c2c(OC)c1OC

HCID19428127

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0090382e86ae4b4f84e11944781a184e
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

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