HRID311728

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID712

Formaldehyde

CH2O

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID2724942

未命名化合物

HCID58042845

未命名化合物

PRODUCTS

产物

HCID58042869

4-Benzyloxy-1-[2-(3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-2-oxo-ethyl]-1H-pyridin-2-one

C25H26N2O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-387316c87b62477f94f036d604012682
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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