HRID126081

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID996

Phenol

C6H6O

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID62652

未命名化合物

HCID70700

Dipivaloylmethane

C11H20O2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)(C)OC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1cc(I)ccc1OCc1ccccc1

HCID66990274

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1cc(Oc2ccccc2)ccc1OCc1ccccc1

HCID66991357

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f0bdcb4fdcc4f82a52886d81462fb20
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:8](=[O:9])([O-:10])[O-:11].[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[O:34][c:35]1[c:36]([C:37](=[O:38])[NH:39][c:40]2[c:41]([C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[cH:49][cH:50][c:51](-[c:53]3[cH:54][cH:55][cH:56][cH:57][cH:58]3)[cH:52]2)[cH:59][c:60]([I:63])[cH:61][cH:62]1.[CH3:14][C:15]([CH3:16])([C:17](=[O:18])[CH2:19][C:20](=[O:21])[C:22]([CH3:23])([CH3:24])[CH3:25])[CH3:26].[CH3:79][CH2:80][O:81][C:82](=[O:83])[CH3:84].[CH3:85][N:86]1[CH2:87][CH2:88][CH2:89][C:90]1=[O:91].[Cl:77][Cu:78].[Cs+:12].[Cs+:13].[OH:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[OH:64][C:65]([CH2:66][C:67]([C:68](=[O:69])[OH:70])([CH2:71][C:72](=[O:73])[OH:74])[OH:75])=[O:76]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:60]1[cH:59][c:36]([C:37](=[O:38])[NH:39][c:40]2[c:41]([C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[cH:49][cH:50][c:51](-[c:53]3[cH:54][cH:55][cH:56][cH:57][cH:58]3)[cH:52]2)[c:35]([O:34][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:62][cH:61]1