HRID1563116

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8058

n-Hexane

C6H14

结构：CCOC(=O)CCN(C)C(=O)c1ccc(NC(CC(C)C)c2cc(-c3ccc(OC)cc3)oc2C)cc1

HCID68512756

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cc(C(CC(C)C)Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)c(C)o2)cc1

HCID59529442

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93f27602c4fa4768b2a0169d90829605
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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