HRID1542141

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID176

Acetic Acid

C2H4O2

HCID280

Carbon dioxide

CO2

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

4 次

HCID946

Nitrite ion

NO2-

HCID962

Water

H2O

HCID7015

2-Biphenylamine

C12H11N

HCID19660

Carbonate Ion

CO3-2

HCID2774596

未命名化合物

PRODUCTS

产物

HCID86613097

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7c3989d96dfd48519f03e3841add37d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[C:19](#[N:20])[CH2:21][C:22](=[O:23])[NH:24][CH2:25][CH:26]1[CH2:27][CH2:28]1.[C:40](=[O:41])=[O:42].[CH3:30][C:31](=[O:32])[O-:33].[CH3:43][C:44](=[O:45])[OH:46].[CH3:48][CH2:49][OH:50].[ClH:14].[N:15]([O-:16])=[O:17].[NH2:1][c:2]1[c:3](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:4][cH:5][cH:6][cH:7]1.[Na+:18].[Na+:29].[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[OH2:47]>>[NH:1]([c:2]1[c:3](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:4][cH:5][cH:6][cH:7]1)[N:15]=[C:21]([C:19]#[N:20])[C:22](=[O:23])[NH:24][CH2:25][CH:26]1[CH2:27][CH2:28]1