HRID673467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

结构：CC(C)c1ccc(COC(=O)N2CCCC(c3cccc(OC(C)(C)C(=O)OCc4ccccc4)c3)C2)cc1

HCID68882636

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccc(COC(=O)N2CCCC(c3cccc(OC(C)(C)C(=O)O)c3)C2)cc1

HCID10094733

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-517d46a63d3346e792dc86f1af842025
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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