HRID679758

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID498716

未命名化合物

HCID562087

Ethyl 2-oxo-4-phenylbutyrate

C12H14O3

HCID13243494

(3-Amino-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid

C12H14N2O3

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCOC(=O)C(CCc1ccccc1)NC1CCc2ccccc2N(CC(=O)O)C1=O

HCID2311

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0352f73f2abf4287a4e530fcab8b6498
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:33]([BH3-:34])#[N:35].[CH2:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH2:25][C:26]([C:27](=[O:28])[O:29][CH2:30][CH3:31])=[O:32].[CH3:38][C:39](=[O:40])[OH:41].[CH3:42][OH:43].[ClH:37].[NH2:1][CH:2]1[C:3](=[O:17])[N:4]([CH2:13][C:14](=[O:15])[OH:16])[c:5]2[c:6]([cH:9][cH:10][cH:11][cH:12]2)[CH2:7][CH2:8]1.[Na+:36]>>[ClH:37].[NH:1]([CH:2]1[C:3](=[O:17])[N:4]([CH2:13][C:14](=[O:15])[OH:16])[c:5]2[c:6]([cH:9][cH:10][cH:11][cH:12]2)[CH2:7][CH2:8]1)[CH:26]([CH2:25][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[C:27](=[O:28])[O:29][CH2:30][CH3:31]