HRID281838

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

HCID109063

4-(4-Pentylcyclohexyl)benzonitrile

C18H25N

HCID14993514

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCCCCC1CCC(c2ccc(C(=O)C(F)(F)c3ccc(C#N)cc3)cc2)CC1

HCID14993515

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7cc4b3eaf3e242a5ad35c666ad093f9d
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

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