HRID212009

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCCCCCCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1F

HCID18996516

3'-Fluoro-4'-(octyloxy)[1,1'-biphenyl]-4-carboxylic acid

C21H25FO3

HCID54541175

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCOc1ccc(-c2ccc(C(=O)O)cc2)c(-c2ccc(C(=O)C(C)CCCCCCC)c(F)c2)c1F

HCID67852811

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5f6843993e843e2a55144c76d4934f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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