HRID2162904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

结构：CCCCc1ccc(OCCc2nc(-c3ccc(-c4ccccc4)cc3)oc2C)cc1OC(C)(C)C(=O)O

HCID22633495

未命名化合物

结构：CCCCc1ccc(OCCc2nc(-c3cccc(-c4ccccc4)c3)oc2C)cc1OC(C)(C)C(=O)OCC

HCID69872383

未命名化合物

PRODUCTS

生成物

结构：CCCCc1ccc(OCCc2nc(-c3cccc(-c4ccccc4)c3)oc2C)cc1OC(C)(C)C(=O)O

HCID22633509

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1ec54c9ee2046bb935c9d9bc36f1894
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:39](=[O:40])([O-:41])[O-:42].[CH2:45]([CH3:46])[O:47][C:48]([C:49]([CH3:50])([CH3:51])[O:52][c:53]1[c:54]([CH2:80][CH2:81][CH2:82][CH3:83])[cH:55][cH:56][c:57]([O:59][CH2:60][CH2:61][c:62]2[n:63][c:64](-[c:68]3[cH:69][c:70](-[c:74]4[cH:75][cH:76][cH:77][cH:78][cH:79]4)[cH:71][cH:72][cH:73]3)[o:65][c:66]2[CH3:67])[cH:58]1)=[O:84].[CH3:85][CH2:86][OH:87].[K+:43].[K+:44].[c:1]1(-[c:2]2[cH:3][cH:4][cH:5][cH:6][cH:7]2)[cH:8][cH:9][c:10](-[c:11]2[o:12][c:13]([CH3:14])[c:15]([CH2:16][CH2:17][O:18][c:19]3[cH:20][cH:21][c:22]([CH2:23][CH2:24][CH2:25][CH3:26])[c:27]([O:29][C:30]([CH3:31])([CH3:32])[C:33]([OH:34])=[O:35])[cH:28]3)[n:36]2)[cH:37][cH:38]1>>[O:47]=[C:48]([C:49]([CH3:50])([CH3:51])[O:52][c:53]1[c:54]([CH2:80][CH2:81][CH2:82][CH3:83])[cH:55][cH:56][c:57]([O:59][CH2:60][CH2:61][c:62]2[n:63][c:64](-[c:68]3[cH:69][c:70](-[c:74]4[cH:75][cH:76][cH:77][cH:78][cH:79]4)[cH:71][cH:72][cH:73]3)[o:65][c:66]2[CH3:67])[cH:58]1)[OH:84]