HRID1556509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

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

HCID57719164

未命名化合物

HCID57719263

2-(2-Fluorophenoxy)-3-(4-hydroxyphenyl)-2-methyl-propionic acid ethyl ester

C18H19FO4

PRODUCTS

生成物

结构：CCOC(=O)C(C)(Cc1ccc(OCCC2CN(Cc3ccc(OC)cc3)C(=O)N2C)cc1)Oc1ccccc1F

HCID68866820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aec1cd10776b4f739b9b580ba40ac913
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1](=[O:2])([O-:3])[O-:4].[CH2:7]([CH3:8])[O:9][C:10]([C:11]([CH2:12][c:13]1[cH:14][cH:15][c:16]([OH:19])[cH:17][cH:18]1)([CH3:20])[O:21][c:22]1[c:23]([F:28])[cH:24][cH:25][cH:26][cH:27]1)=[O:29].[CH3:30][O:31][c:32]1[cH:33][cH:34][c:35]([CH2:36][N:37]2[C:38](=[O:56])[N:39]([CH3:55])[CH:40]([CH2:42][CH2:43][O:44][S:45]([c:46]3[cH:47][cH:48][c:49]([CH3:50])[cH:51][cH:52]3)(=[O:53])=[O:54])[CH2:41]2)[cH:57][cH:58]1.[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[Cs+:5].[Cs+:6].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63]>>[CH2:7]([CH3:8])[O:9][C:10]([C:11]([CH2:12][c:13]1[cH:14][cH:15][c:16]([O:19][CH2:43][CH2:42][CH:40]2[N:39]([CH3:55])[C:38](=[O:56])[N:37]([CH2:36][c:35]3[cH:34][cH:33][c:32]([O:31][CH3:30])[cH:58][cH:57]3)[CH2:41]2)[cH:17][cH:18]1)([CH3:20])[O:21][c:22]1[c:23]([F:28])[cH:24][cH:25][cH:26][cH:27]1)=[O:29]