HRID2158634

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)c1OCc1ccccc1)CCC(C)(CCOC(=O)C(C)c1ccc(-c3ccccc3)c(F)c1)O2

HCID18973233

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C)c2c(c(C)c1O)CCC(C)(CCOC(=O)C(C)c1ccc(-c3ccccc3)c(F)c1)O2

HCID9805015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b445e0c2a3d54dd38c50a96ac864ede2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[F:1][c:2]1[cH:3][c:4]([CH:14]([C:15](=[O:16])[O:17][CH2:18][CH2:19][C:20]2([CH3:41])[CH2:21][CH2:22][c:23]3[c:24]([c:26]([CH3:40])[c:27]([CH3:39])[c:28]([O:31][CH2:32][c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[c:29]3[CH3:30])[O:25]2)[CH3:42])[cH:5][cH:6][c:7]1-[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1>>[F:1][c:2]1[cH:3][c:4]([CH:14]([C:15](=[O:16])[O:17][CH2:18][CH2:19][C:20]2([CH3:41])[CH2:21][CH2:22][c:23]3[c:24]([c:26]([CH3:40])[c:27]([CH3:39])[c:28]([OH:31])[c:29]3[CH3:30])[O:25]2)[CH3:42])[cH:5][cH:6][c:7]1-[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1