HRID2313959

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID13041

Pentafluorophenol

C6HF5O

HCID2802556

4-(4-octoxyphenyl)benzoic acid

C21H26O3

PRODUCTS

生成物

结构：CCCCCCCCOc1ccc(-c2ccc(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2)cc1

HCID15548597

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-776dd09c72c3497bbdd19003036be89a
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

[CH2:13]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[O:21][c:22]1[cH:23][cH:24][c:25](-[c:28]2[cH:29][cH:30][c:31]([C:34](=[O:35])[OH:36])[cH:32][cH:33]2)[cH:26][cH:27]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH:37]1([N:38]=[C:39]=[N:40][CH:41]2[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]1.[F:1][c:2]1[c:3]([F:12])[c:4]([F:11])[c:5]([F:10])[c:6]([F:9])[c:7]1[OH:8]>>[F:1][c:2]1[c:3]([F:12])[c:4]([F:11])[c:5]([F:10])[c:6]([F:9])[c:7]1[O:8][C:34]([c:31]1[cH:30][cH:29][c:28](-[c:25]2[cH:24][cH:23][c:22]([O:21][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[cH:27][cH:26]2)[cH:33][cH:32]1)=[O:35]