HRID2157831

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID61778

Bisulfate anion

HO4S-

HCID82029

4-Methylmorpholine 4-oxide

C5H11NO2

结构：C=CC1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

HCID21955309

1-Piperidinecarboxylic acid, 4-ethenyl-4-[(phenylmethoxy)methyl]-, 1,1-dimethylethyl ester

C20H29NO3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(COCc2ccccc2)(C(O)CO)CC1

HCID21955196

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d36fe08723444b97b87c97cfeda00760
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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