HRID96751

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID266914

1,4-Dimethoxybutan-2-one

C6H12O3

HCID21094609

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COCCC(O)(COC)c1c2cccc(-c3ccc(OC)cc3C)c2nn1C

HCID21094561

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3b49385fc964b6484e94b318c0780c1
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

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