HRID149938

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID875

2,3-Dihydroxybutanedioic acid

C4H6O6

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID11381

3-Phenylphenol

C12H10O

HCID166653

Hydride

H-

HCID10244523

Ethyl 1-(2-bromoethyl)-3-piperidinecarboxylate

C10H18BrNO2

PRODUCTS

生成物

结构：CCOC(=O)C1CCCN(CCOc2cccc(-c3ccccc3)c2)C1

HCID56987661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e94ef5e6af2f48c1b84b4685f3515444
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[BrH:16].[C:31]([OH:32])(=[O:33])[CH:34]([CH:35]([C:36]([OH:37])=[O:38])[OH:39])[OH:40].[CH2:17]([CH3:18])[O:19][C:20](=[O:21])[CH:22]1[CH2:23][N:24]([CH2:28][CH2:29][Br:30])[CH2:25][CH2:26][CH2:27]1.[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[H-:1].[Na+:2].[OH2:54].[OH:3][c:4]1[cH:5][c:6](-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:7][cH:8][cH:9]1>>[O:3]([c:4]1[cH:5][c:6](-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:7][cH:8][cH:9]1)[CH2:29][CH2:28][N:24]1[CH2:23][CH:22]([C:20]([O:19][CH2:17][CH3:18])=[O:21])[CH2:27][CH2:26][CH2:25]1