HRID313957

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：Cc1ccc(S(=O)(=O)OCCc2nc(-c3ccc(-c4ccccc4)cc3)oc2C)cc1

HCID12966835

未命名化合物

HCID46835528

Ethyl 2-(3-hydroxyphenoxy)-2-methylpropanoate

C12H16O4

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1cccc(OCCc2nc(-c3ccc(-c4ccccc4)cc3)oc2C)c1

HCID69871236

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b117e4f3eb645d3b45fff642a617739
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:48](=[O:49])([O-:50])[O-:51].[CH2:32]([CH3:33])[O:34][C:35]([C:36]([CH3:37])([CH3:38])[O:39][c:40]1[cH:41][c:42]([OH:46])[cH:43][cH:44][cH:45]1)=[O:47].[Cs+:52].[Cs+:53].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[c:1]1(-[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:2][cH:3][c:4](-[c:7]2[o:8][c:9]([CH3:25])[c:10]([CH2:12][CH2:13][O:14][S:15]([c:16]3[cH:17][cH:18][c:19]([CH3:20])[cH:21][cH:22]3)(=[O:23])=[O:24])[n:11]2)[cH:5][cH:6]1>>[c:1]1(-[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:2][cH:3][c:4](-[c:7]2[o:8][c:9]([CH3:25])[c:10]([CH2:12][CH2:13][O:46][c:42]3[cH:41][c:40]([O:39][C:36]([C:35]([O:34][CH2:32][CH3:33])=[O:47])([CH3:37])[CH3:38])[cH:45][cH:44][cH:43]3)[n:11]2)[cH:5][cH:6]1