HRID677766

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

HCID16756990

Ethyl 2-(4-hydroxy-2-methylphenoxy)-2-methylpropanoate

C13H18O4

结构：COc1ccc(CN2CC(CCOS(=O)(=O)c3ccc(C)cc3)N(C)C2=O)cc1

HCID57719164

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1ccc(OCCC2CN(Cc3ccc(OC)cc3)C(=O)N2C)cc1C

HCID10195684

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cc30e4296a64c4189610fda0114ab6a
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:47](=[O:48])([O-:49])[O-:50].[CH2:30]([CH3:31])[O:32][C:33]([C:34]([CH3:35])([CH3:36])[O:37][c:38]1[c:39]([CH3:45])[cH:40][c:41]([OH:44])[cH:42][cH:43]1)=[O:46].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]2[C:9](=[O:27])[N:10]([CH3:26])[CH:11]([CH2:13][CH2:14][O:15][S:16]([c:17]3[cH:18][cH:19][c:20]([CH3:21])[cH:22][cH:23]3)(=[O:24])=[O:25])[CH2:12]2)[cH:28][cH:29]1.[Cs+:51].[Cs+:52].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]2[C:9](=[O:27])[N:10]([CH3:26])[CH:11]([CH2:13][CH2:14][O:15][c:41]3[cH:40][c:39]([CH3:45])[c:38]([O:37][C:34]([C:33]([O:32][CH2:30][CH3:31])=[O:46])([CH3:35])[CH3:36])[cH:43][cH:42]3)[CH2:12]2)[cH:28][cH:29]1