HRID2129711

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID13003

Pyrrolidine, 2-methyl-

C5H11N

HCID2724942

未命名化合物

HCID17796625

tert-Butyl [2-(4-formylphenyl)ethyl]carbamate

C14H19NO3

PRODUCTS

生成物

HCID57890363

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aea7800c71df442b9d8cf46a02b7850c
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

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