HRID2313176

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID283

Formic acid, ion(1-)

CHO2-

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

反应SMILES：CCOC(=O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21

HCID58653703

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3cccc(N)c3)ccc21

HCID58653680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fe9d7338d6ba4923a8b6f67cd1cb503b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[CH3:39][CH2:40][OH:41].[CH:35]([O-:36])=[O:37].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[cH:11][c:12]3[c:13]([n:14]([CH:17]([CH2:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])[c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[cH:15][n:16]3)[cH:30][cH:31]2)[cH:32][cH:33][cH:34]1.[NH4+:38].[OH2:42]>>[NH2:1][c:4]1[cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[cH:11][c:12]3[c:13]([n:14]([CH:17]([CH2:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])[c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[cH:15][n:16]3)[cH:30][cH:31]2)[cH:32][cH:33][cH:34]1