HRID189647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

结构：CCOC(=O)C(Cc1c(Br)c(OC)c(OC)c(OC)c1OC)(C(=O)OCC)c1ccc(OCc2ccccc2)cc1

HCID18348651

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCOC(=O)C1(c2ccc(OCc3ccccc3)cc2)Cc2c(OC)c(OC)c(OC)c(OC)c2C1=O

HCID18348626

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-051523b6b4aa4361bfd6d0ce496d1e90
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][c:20]1[cH:21][cH:22][c:23]([C:26]([C:27](=[O:28])[O:29][CH2:30][CH3:31])([CH2:32][c:33]2[c:34]([O:46][CH3:47])[c:35]([O:44][CH3:45])[c:36]([O:42][CH3:43])[c:37]([O:40][CH3:41])[c:38]2[Br:52])[C:48]([O:39][CH2:50][CH3:51])=[O:49])[cH:24][cH:25]1.[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH2:7]([Li:8])[CH2:9][CH2:10][CH3:11].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH3:6].[CH3:53][C:54](=[O:55])[OH:56].[CH3:57][CH2:58][O:59][CH2:60][CH3:61]>>[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][c:20]1[cH:21][cH:22][c:23]([C:26]2([C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH2:32][c:33]3[c:34]([O:46][CH3:47])[c:35]([O:44][CH3:45])[c:36]([O:42][CH3:43])[c:37]([O:40][CH3:41])[c:38]3[C:48]2=[O:49])[cH:24][cH:25]1