HRID192356

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID11829786

4-Benzylsemicarbazide

C8H11N3O

HCID13934408

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(CCN1C(=O)C(=NNC(=O)NCc2ccccc2)c2ccccc21)C(C)C

HCID178457398

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c92a1faf5c874ca99f04963174dcc7c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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