HRID1568820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID19660

Carbonate

CO3-2

结构：CC(=O)OC1CCN(C(C)=O)C1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(S(C)(=O)=O)cc1

HCID67482257

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCC(O)C1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(S(C)(=O)=O)cc1

HCID23145128

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b34d6ee25bc341a7b1a003dddd53c987
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:1](=[O:2])([O-:3])[O-:4].[C:7](=[O:8])([CH3:9])[O:10][CH:11]1[CH:12]([c:19]2[c:20]([O:34][c:35]3[cH:36][cH:37][c:38]([S:41](=[O:42])(=[O:43])[CH3:44])[cH:39][cH:40]3)[cH:21][c:22]3[c:23]([nH:24][c:25](-[c:27]4[n:28][cH:29][cH:30][cH:31][cH:32]4)[n:26]3)[cH:33]2)[N:13]([C:16]([CH3:17])=[O:18])[CH2:14][CH2:15]1.[CH3:45][OH:46].[K+:5].[K+:6]>>[OH:10][CH:11]1[CH:12]([c:19]2[c:20]([O:34][c:35]3[cH:36][cH:37][c:38]([S:41](=[O:42])(=[O:43])[CH3:44])[cH:39][cH:40]3)[cH:21][c:22]3[c:23]([nH:24][c:25](-[c:27]4[n:28][cH:29][cH:30][cH:31][cH:32]4)[n:26]3)[cH:33]2)[N:13]([C:16]([CH3:17])=[O:18])[CH2:14][CH2:15]1