HRID2312260

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID18126

Hexyloxirane

C8H16O

HCID15733995

4′-Methoxy[1,1′-biphenyl]-4-acetonitrile

C15H13NO

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCCCCCC(O)CC(C#N)c1ccc(-c2ccc(OC)cc2)cc1

HCID178444113

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dbc350bb3cc24f4a9f0715297b328155
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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