HRID2329793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID242

Benzoate

C7H5O2-

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID2802556

4-(4-octoxyphenyl)benzoic acid

C21H26O3

HCID19920819

1,1,1-Trifluorooctan-2-yl 2-fluoro-4-hydroxybenzoate

C15H18F4O3

PRODUCTS

生成物

结构：CCCCCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(C(=O)OC(CCCCCC)C(F)(F)F)c(F)c3)cc2)cc1

HCID53749937

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bef41ae26458458c9da708cd6e77b53e
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

[CH2:42]([CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49])[O:50][c:51]1[cH:52][cH:53][c:54](-[c:57]2[cH:58][cH:59][c:60]([C:63](=[O:64])[OH:65])[cH:61][cH:62]2)[cH:55][cH:56]1.[CH2:66]([Cl:67])[Cl:68].[CH3:32][N:33]([c:34]1[cH:35][cH:36][cH:37][cH:38][n:39]1)[CH3:40].[CH3:70][CH2:71][N:72]([CH2:73][CH3:74])[CH2:75][CH3:76].[Cl-:41].[F:10][c:11]1[c:12]([C:13](=[O:14])[O:15][CH:16]([C:17]([F:18])([F:19])[F:20])[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[cH:27][cH:28][c:29]([OH:31])[cH:30]1.[O-:1][C:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)=[O:9].[OH2:69]>>[F:10][c:11]1[c:12]([C:13](=[O:14])[O:15][CH:16]([C:17]([F:18])([F:19])[F:20])[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[cH:27][cH:28][c:29]([O:31][C:63]([c:60]2[cH:59][cH:58][c:57](-[c:54]3[cH:53][cH:52][c:51]([O:50][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49])[cH:56][cH:55]3)[cH:62][cH:61]2)=[O:64])[cH:30]1