HRID1203718

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：COc1cc(OC)c2c(C)c(CCOS(C)(=O)=O)c(=O)oc2c1

HCID19428130

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)c2c(C)c(CCN3CCN(c4ccccc4)CC3)c(=O)oc2c1

HCID19428129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4ec000482c645d0b3a15bba64c446a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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