HRID2136044

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID77412

Phenol, 4-(octyloxy)-

C14H22O2

结构：CCCCCCC(OC(=O)c1ccc(-c2ccc(C(=O)Cl)cc2)cc1)C(F)(F)F

HCID54127613

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCOc1ccc(OC(=O)c2ccc(-c3ccc(C(=O)OC(CCCCCC)C(F)(F)F)cc3)cc2)cc1

HCID19782866

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e5a494402a64e95a8d3fcba5f77d772
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

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