HRID1226167

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：CCCn1nc2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc3ccccc3c2c1CCCCOC(C)=O

HCID66958934

未命名化合物

PRODUCTS

生成物

结构：CCCn1nc2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc3ccccc3c2c1CCCCO

HCID66958564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6677815c7d84096ae4aae0a1071d52c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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