HRID321695

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

Hexane

C6H14

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID70721

Dicyclopropylketone

C7H10O

HCID19851533

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

HCID19851558

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5b1cadd5a80a460485cb686993081dc8
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

[CH3:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[CH3:46][N:47]([CH3:48])[P:49](=[O:50])([N:51]([CH3:52])[CH3:53])[N:54]([CH3:55])[CH3:56].[CH:25]1([C:28](=[O:29])[CH:30]2[CH2:31][CH2:32]2)[CH2:26][CH2:27]1.[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[C:8](=[O:19])[N:9]([CH3:18])[CH2:10][c:11]1[n:12]-2[cH:13][n:14][c:15]1[C:16]#[CH:17].[ClH:33].[Li:20][CH2:21][CH2:22][CH2:23][CH3:24].[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[OH2:45]>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[C:8](=[O:19])[N:9]([CH3:18])[CH2:10][c:11]1[n:12]-2[cH:13][n:14][c:15]1[C:16]#[C:17][C:28]([CH:25]1[CH2:26][CH2:27]1)([OH:29])[CH:30]1[CH2:31][CH2:32]1