HRID136458

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID75538

N-Methyloctan-1-amine

C9H21N

结构：COC(=O)c1cc(C=CC(=O)O)cc(C)c1N(C)S(=O)(=O)c1ccc(OC)cc1

HCID70055195

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCN(C)C(=O)C=Cc1cc(C)c(N(C)S(=O)(=O)c2ccc(OC)cc2)c(C(=O)OC)c1

HCID70053755

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3fc73adc5b844834a0efbfc172be518d
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

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