HRID1145228

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID12417

2,2-Dimethylpropanal

C5H10O

结构：C#Cc1ccc(C(CC)(CC)c2ccc(O)c(C)c2)cc1C

HCID58598295

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCC(CC)(c1ccc(O)c(C)c1)c1ccc(C#CC(O)C(C)(C)C)c(C)c1

HCID57433057

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d6b4e4a54c84877a1f311646380d497
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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