HRID2140392

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID17231

4-Octyloxybenzoic acid

C15H22O3

HCID29354

4-(Hexyloxy)phenol

C12H18O2

PRODUCTS

生成物

结构：CCCCCCCCOc1ccc(C(=O)Oc2ccc(OCCCCCC)cc2)cc1

HCID15919289

4-(Hexyloxy)phenyl 4-(octyloxy)benzoate

C27H38O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bf335238b8c411ab5495c0535d107b1
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

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