HRID1223236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2802556

4-(4-octoxyphenyl)benzoic acid

C21H26O3

HCID14549215

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(C(=O)OC(CCCCCC)C(F)(F)F)cc3)cc2)cc1

HCID14766965

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9408e4b59eac481783ad7973167d743e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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](-[c:45]2[cH:46][cH:47][c:48]([C:51](=[O:52])[OH:53])[cH:49][cH:50]2)[cH:43][cH:44]1.[CH2:54]([Cl:55])[Cl:56].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[Cl-:29].[OH2:57].[OH:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH:9]([C:10]([F:11])([F:12])[F:13])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[cH:20][cH:21]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH:9]([C:10]([F:11])([F:12])[F:13])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[cH:20][cH:21]1)[C:51]([c:48]1[cH:47][cH:46][c:45](-[c:42]2[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]2)[cH:50][cH:49]1)=[O:52]