HRID92376

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

4 次

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID79815

Benzaldehyde, 4-(pentyloxy)-

C12H16O2

HCID114942

Titanium(4+)

Ti+4

HCID600911

Ethyl 4-acetylbenzoate

C11H12O3

PRODUCTS

生成物

结构：CCCCCOc1ccc(C=CC(=O)c2ccc(C(=O)OCC)cc2)cc1

HCID54343021

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9630f866c3848ec98d68b10f21c155d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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