HRID2321304

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC(=O)CCc1cc(C(=O)c2cccc(C(=O)OCC)c2)ccc1O

HCID14739657

未命名化合物

HCID14739745

6-(4-Methoxyphenyl)hex-5-yn-1-ol

C13H16O2

PRODUCTS

生成物

结构：CCOC(=O)CCc1cc(C(=O)c2cccc(C(=O)OCC)c2)ccc1OCCCCC#Cc1ccc(OC)cc1

HCID14739789

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa02783683bd44ec93dc53adcef0ee11
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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