HRID1145007

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID11569

3-Methoxybenzaldehyde

C8H8O2

HCID26255

Tetrafluoroborate

BF4-

HCID28123

Tetrahydroborate

H4B-

HCID93245

Trimethyloxidanium

C3H9O+

HCID12947547

Ethyl 4-(3-methoxyphenyl)-6-oxopiperidine-3-carboxylate

C15H19NO4

HCID12947549

Ethyl 4-(3-methoxyphenyl)-1-methylpiperidine-3-carboxylate

C16H23NO3

PRODUCTS

生成物

HCID12947548

Ethyl 4-(3-methoxyphenyl)piperidine-3-carboxylate

C15H21NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bfaff99ba7e14d569e8f1fb752a02c1b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[BH4-:60].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:9]2[CH:10]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[CH2:11][N:12]([CH3:15])[CH2:13][CH2:14]2)[cH:6][cH:7][cH:8]1.[CH3:21][O:22][c:23]1[cH:24][c:25]([CH:29]=[O:30])[cH:26][cH:27][cH:28]1.[CH3:31][O:32][c:33]1[cH:34][c:35]([CH:36]2[CH:37]([C:38]([O:39][CH2:40][CH3:41])=[O:42])[CH2:43][NH:44][C:45](=[O:46])[CH2:47]2)[cH:48][cH:49][cH:50]1.[CH3:56][O+:57]([CH3:58])[CH3:59].[CH3:62][CH2:63][OH:64].[F:51][B-:52]([F:53])([F:54])[F:55].[Na+:61]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:9]2[CH:10]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[CH2:11][NH:12][CH2:13][CH2:14]2)[cH:6][cH:7][cH:8]1