HRID150671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID11605

1,3-Cyclohexadiene

C6H8

HCID31275

1,4-Dioxane

C4H8O2

HCID53801719

未命名化合物

PRODUCTS

产物

HCID9848584

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0589f843c56f47d8bf32550472773c20
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11](-[c:15]2[n:16][c:17]([O:41][CH3:42])[c:18]([O:32][c:33]3[c:34]([O:39][CH3:40])[cH:35][cH:36][cH:37][cH:38]3)[c:19]([NH:21][S:22](=[O:23])(=[O:24])[c:25]3[n:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]3)[n:20]2)[cH:12][cH:13][cH:14]1.[CH3:43][CH2:44][OH:45].[CH:46]1=[CH:51][CH:50]=[CH:49][CH2:48][CH2:47]1.[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1>>[OH:8][c:9]1[cH:10][c:11](-[c:15]2[n:16][c:17]([O:41][CH3:42])[c:18]([O:32][c:33]3[c:34]([O:39][CH3:40])[cH:35][cH:36][cH:37][cH:38]3)[c:19]([NH:21][S:22](=[O:23])(=[O:24])[c:25]3[n:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]3)[n:20]2)[cH:12][cH:13][cH:14]1