HRID1126372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID70211

Acetic acid, oxo-, ethyl ester

C4H6O3

反应SMILES：CCCCC(=O)Cc1ccc(OC2CCCCC2)c(Br)c1

HCID67373628

未命名化合物

PRODUCTS

产物

反应SMILES：CCCCC(=O)C(c1ccc(OC2CCCCC2)c(Br)c1)C(O)C(=O)OCC

HCID67375283

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-373d458561034defaff40bd12b9b93cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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