HRID1229452

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8003

Pentane

C5H12

结构：COc1ccc(CCC(=O)Nc2c(C)c(C)c3c(c2C)C(c2ccc(C(C)C)cc2)C(C)(C)O3)cc1

HCID21961330

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CCCNc2c(C)c(C)c3c(c2C)C(c2ccc(C(C)C)cc2)C(C)(C)O3)cc1

HCID10116196

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11db755466e44edd90781818a666d780
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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