HRID2141181

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6332

Bromoethane

C2H5Br

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID67120

Desoxyanisoin

C16H16O3

HCID233218

1,2-Bis(4-methoxyphenyl)butan-1-one

C18H20O3

HCID5062348

未命名化合物

HCID5462224

Magnesium

HCID18936892

未命名化合物

PRODUCTS

生成物

结构：CCC(c1ccc(OC)cc1)C(O)(CCCCCCCCCCC(O)C1CCCCO1)c1ccc(OC)cc1

HCID18936909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78780ccc846a413983ee5caedfe924f9
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

[Br:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH:63]([OH:64])[CH:65]1[O:66][CH2:67][CH2:68][CH2:69][CH2:70]1.[CH2:41]([Br:42])[CH3:43].[CH2:73]1[O:74][CH2:75][CH2:76][CH2:77]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:9]([CH:10]([c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[CH2:19][CH3:20])=[O:21])[cH:7][cH:8]1.[CH3:45][CH:46]([N-:47][CH:48]([CH3:49])[CH3:50])[CH3:51].[ClH:72].[Li+:44].[Mg:71].[c:22]1([C:23]([CH2:24][c:25]2[cH:26][cH:27][c:28]([O:29][CH3:30])[cH:31][cH:32]2)=[O:33])[cH:34][cH:35][c:36]([O:37][CH3:38])[cH:39][cH:40]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:9]([CH:10]([c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[CH2:19][CH3:20])([OH:21])[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH:63]([OH:64])[CH:65]2[O:66][CH2:67][CH2:68][CH2:69][CH2:70]2)[cH:7][cH:8]1