HRID314401

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID13389

Pyridin-4-carboxaldehyde

C6H5NO

HCID28123

Tetrahydroborate

H4B-

结构：CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN)ccc21

HCID68673521

未命名化合物

PRODUCTS

生成物

结构：CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCNCc3ccncc3)ccc21

HCID68672802

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32efcd5e8bf24720b9cb86c53fc64288
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

[BH4-:34].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:9][OH:10].[NH2:11][CH2:12][CH2:13][CH2:14][O:15][c:16]1[cH:17][c:18]2[c:19]([cH:32][cH:33]1)[N:20]([CH2:30][CH3:31])[C:21](=[O:29])[C:22]([CH3:27])([CH3:28])[C:23](=[O:26])[N:24]2[CH3:25].[Na+:35].[OH2:42].[n:1]1[cH:2][cH:3][c:4]([CH:7]=[O:8])[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4]([CH2:7][NH:11][CH2:12][CH2:13][CH2:14][O:15][c:16]2[cH:17][c:18]3[c:19]([cH:32][cH:33]2)[N:20]([CH2:30][CH3:31])[C:21](=[O:29])[C:22]([CH3:27])([CH3:28])[C:23](=[O:26])[N:24]3[CH3:25])[cH:5][cH:6]1