HRID1224254

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID23078362

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(C)cc3C(=O)C(C)(C)C)c2cc1OC

HCID57756482

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c5d52788225466e8ebcf1607377077a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[c:3]([O:4][c:5]2[cH:6][cH:7][n:8][c:9]3[cH:10][c:11]([O:17][CH3:18])[c:12]([O:15][CH3:16])[cH:13][c:14]23)[cH:19][cH:20][c:21]([CH3:23])[cH:22]1.[C:35]([C:36]([CH3:37])([CH3:38])[CH3:39])(=[O:40])[Cl:41].[CH2:30]([Li:31])[CH2:32][CH2:33][CH3:34].[CH3:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:42]>>[c:2]1([C:35]([C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[c:3]([O:4][c:5]2[cH:6][cH:7][n:8][c:9]3[cH:10][c:11]([O:17][CH3:18])[c:12]([O:15][CH3:16])[cH:13][c:14]23)[cH:19][cH:20][c:21]([CH3:23])[cH:22]1