HRID320914

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1003

Dihydrogen phosphate

H2O4P-

HCID8028

Tetrahydrofuran

C4H8O

HCID8078

Cyclohexane

C6H12

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID12807743

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C1C(C#CC(=O)Oc2ccccc2)C1(C)C

HCID178450697

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a974f5e07ee4e378bd0cf12e5f88a40
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:43]1[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]1.[CH3:1][C:2]1([CH3:16])[CH:3]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH:4]1[CH:5]=[C:6]([Br:7])[Br:8].[Cl:22][C:23](=[O:24])[O:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[Li:17][CH2:18][CH2:19][CH2:20][CH3:21].[Na+:37].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[P:32]([OH:33])([OH:34])([O-:35])=[O:36]>>[CH3:1][C:2]1([CH3:16])[CH:3]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH:4]1[C:5]#[C:6][C:23](=[O:24])[O:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1