HRID821664

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID30165

Iodide ion

I-

HCID5314169

1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester

C8H11NO3

HCID5462224

Magnesium

结构：CCCCCCC(C)(C)c1ccc(Br)c(OCc2ccccc2)c1

HCID12882164

2-(Benzyloxy)-1-bromo-4-(2-methyloctan-2-yl)benzene

C22H29BrO

PRODUCTS

生成物

结构：CCCCCCC(C)(C)c1ccc(C2CC(=O)CCN2C(=O)OCC)c(OCc2ccccc2)c1

HCID13519476

N-Ethoxycarbonyl-2-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-4-piperidinone

C30H41NO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc4c120ab9294090b5615179b288ba83
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:27]([CH3:28])[O:29][C:30](=[O:31])[N:32]1[CH2:33][CH2:34][C:35](=[O:38])[CH:36]=[CH:37]1.[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][c:10]1[c:11]([Br:25])[cH:12][cH:13][c:14]([C:16]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])([CH3:23])[CH3:24])[cH:15]1.[Cl-:39].[I-:26].[Mg:1].[NH4+:40].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][c:10]1[c:11]([CH:37]2[N:32]([C:30]([O:29][CH2:27][CH3:28])=[O:31])[CH2:33][CH2:34][C:35](=[O:38])[CH2:36]2)[cH:12][cH:13][c:14]([C:16]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])([CH3:23])[CH3:24])[cH:15]1