HRID200130

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

HCID2794620

benzyl 4-hydroxypiperidine-1-carboxylate

C13H17NO3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)COC1CCN(C(=O)OCc2ccccc2)CC1

HCID10066408

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-414d2221bac64ec9a116c93edf526010
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:1][CH2:2][C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9].[CH2:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[O:17][C:18](=[O:19])[N:20]1[CH2:21][CH2:22][CH:23]([OH:26])[CH2:24][CH2:25]1.[CH2:34]([N+:35]([CH2:36][CH2:37][CH2:38][CH3:39])([CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH3:50].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[Na+:28].[OH-:27].[OH2:51].[S:29]([O-:30])([OH:31])(=[O:32])=[O:33]>>[CH2:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[O:26][CH:23]1[CH2:22][CH2:21][N:20]([C:18]([O:17][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)=[O:19])[CH2:25][CH2:24]1