HRID161768

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：Cc1c(C)c2c(c(C)c1NC(=O)CC(C)(C)C)C(c1ccc(C3OCCO3)cc1)CO2

HCID23114176

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C)c2c(c(C)c1NC(=O)CC(C)(C)C)C(c1ccc(C=O)cc1)CO2

HCID23113872

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f7c559c1dcc4bd3b4fc714bb23f3daf
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

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