HRID213111

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID81531

Diisopropylethylamine

C8H19N

结构：CCc1sc(C(=O)C=Cc2cc(C)c(CCC(=O)O)c(C)c2)c2c1CC(C)(C)CC2

HCID67316969

未命名化合物

PRODUCTS

生成物

HCID16112873

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b9e25bffb42448ebbe2fa35c5a9a649
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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