HRID211418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID7841

Allyl bromide

C3H5Br

HCID19660

Carbonate

CO3-2

结构：CCCCCCC(C)(C)c1ccc(C2CC(O)CCN2)c(OCc2ccccc2)c1

HCID20274354

未命名化合物

PRODUCTS

生成物

结构：C=CCN1CCC(O)CC1c1ccc(C(C)(C)CCCCCC)cc1OCc1ccccc1

HCID20274338

2-[4-(2-Methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-prop-2-enylpiperidin-4-ol

C30H43NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b51423e2c0c64911a87095c2068a7f20
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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