HRID107328

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

反应SMILES：CC(=O)OCc1nc(-c2ccc(C(C)(c3ccc(OCc4ccccn4)cn3)C(C)C)cc2)no1

HCID57910807

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)C(C)(c1ccc(-c2noc(CO)n2)cc1)c1ccc(OCc2ccccn2)cn1

HCID57910795

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-778b05a9830241cfb81e375c5d36ad98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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