HRID2346846

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID9993

1-Bromo-4-fluorobenzene

C6H4BrF

HCID191408

1-Benzyl-4-phenylpiperidine-4-carbonitrile

C19H20N2

HCID5462224

Magnesium

PRODUCTS

生成物

结构：O=C(c1ccc(F)cc1)C1(c2ccccc2)CCN(Cc2ccccc2)CC1

HCID15586470

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8631c95960d543e99e8ce0476c2a0095
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

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