HRID2334374

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID30165

Iodide ion

I-

HCID118120

N-(Piperidin-4-yl)benzenecarboximidic acid

C12H16N2O

HCID139541

2-(1-Naphthyl)ethyl bromide

C12H11Br

PRODUCTS

生成物

结构：O=C(NC1CCN(CCc2cccc3ccccc23)CC1)c1ccccc1

HCID21430609

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc099c1e469a4664a12477ca25bf92e7
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:1][CH2:2][CH2:3][c:4]1[cH:5][cH:6][cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12.[C:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)(=[O:21])[NH:22][CH:23]1[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]1.[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[CH:29]([NH:30][CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[I-:37].[Na+:36].[OH2:43]>>[CH2:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12)[N:26]1[CH2:25][CH2:24][CH:23]([NH:22][C:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)=[O:21])[CH2:28][CH2:27]1