HRID2130038

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID69951

Methyl 2-ethylbutyrate

C7H14O2

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID3280088

未命名化合物

HCID58904379

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)(C(=O)OC)c1ccc(OCc2ccccc2)c(C)c1

HCID59166715

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77427b381e6342ebac1383a2fee2d059
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

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