HRID952114

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7677

1-Piperazineethanol

C6H14N2O

结构：COc1c(C)c(C)c2c(c1C)CCC(C)(CCOS(=O)(=O)c1ccc(C)cc1)O2

HCID13909422

未命名化合物

PRODUCTS

生成物

结构：COc1c(C)c(C)c2c(c1C)CCC(C)(CCN1CCN(CCO)CC1)O2

HCID14392647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5948fc87b1a40bd8e50d8cc2bb715a6
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:10][O:11][c:12]1[c:13]([CH3:38])[c:14]([CH3:37])[c:15]2[c:16]([c:35]1[CH3:36])[CH2:17][CH2:18][C:19]([CH3:21])([CH2:22][CH2:23][O:24][S:25]([c:26]1[cH:27][cH:28][c:29]([CH3:30])[cH:31][cH:32]1)(=[O:33])=[O:34])[O:20]2.[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[OH2:46].[OH:1][CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][NH:7][CH2:8][CH2:9]1>>[OH:1][CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][N:7]([CH2:23][CH2:22][C:19]2([CH3:21])[CH2:18][CH2:17][c:16]3[c:15]([c:14]([CH3:37])[c:13]([CH3:38])[c:12]([O:11][CH3:10])[c:35]3[CH3:36])[O:20]2)[CH2:8][CH2:9]1