HRID1552175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID96387

4-Phenylpiperidin-4-ol

C11H15NO

结构：c1ccc(C2(c3ccccc3)CCOC2=[N+]2CCCC2)cc1

HCID22624493

未命名化合物

PRODUCTS

生成物

结构：O=C(N1CCCC1)C(CCN1CCC(O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1

HCID18972298

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0b0230c680b428f8ace83550eb0a0b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br-:1].[CH3:46][CH:47]([CH3:48])[CH2:49][C:50](=[O:51])[CH3:52].[I-:44].[K+:43].[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[OH2:45].[c:24]1([C:30]2([OH:36])[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]2)[cH:25][cH:26][cH:27][cH:28][cH:29]1.[c:2]1([C:8]2([c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[C:9](=[N+:13]3[CH2:14][CH2:15][CH2:16][CH2:17]3)[O:10][CH2:11][CH2:12]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[c:2]1([C:8]([C:9](=[O:10])[N:13]2[CH2:14][CH2:15][CH2:16][CH2:17]2)([CH2:12][CH2:11][N:33]2[CH2:32][CH2:31][C:30]([c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)([OH:36])[CH2:35][CH2:34]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1