HRID173711

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID14726549

1,1,4,4-Tetramethyl-6-ethynyl-1,2,3,4-tetrahydronaphthalene

C16H20

HCID22619405

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

HCID22619466

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-32397bc882d043479d5ec1f47bf4d2eb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[CH2:17]([Li:18])[CH2:19][CH2:20][CH3:21].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH2:46]([O:47][CH2:48][CH3:49])[CH3:50].[CH3:1][C:2]1([CH3:16])[c:3]2[cH:4][cH:5][c:6]([C:14]#[CH:15])[cH:7][c:8]2[C:9]([CH3:12])([CH3:13])[CH2:10][CH2:11]1.[CH3:22][N:23]([C:24](=[O:25])[c:26]1[cH:27][cH:28][c:29]([C:30](=[O:31])[O:32][CH2:33][CH:34]=[CH2:35])[cH:36][cH:37]1)[CH3:38].[Cl-:39].[NH4+:40]>>[CH3:1][C:2]1([CH3:16])[c:3]2[cH:4][cH:5][c:6]([C:14]#[C:15][C:24](=[O:25])[c:26]3[cH:27][cH:28][c:29]([C:30](=[O:31])[O:32][CH2:33][CH:34]=[CH2:35])[cH:36][cH:37]3)[cH:7][c:8]2[C:9]([CH3:12])([CH3:13])[CH2:10][CH2:11]1