HRID185249

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

HCID181741

Ethyl 2-(4-hydroxyphenoxy)-2-methylpropanoate

C12H16O4

结构：FC(F)(F)c1ccc(-c2ncc(CCl)c(C3CC3)n2)cc1

HCID21935960

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1ccc(OCc2cnc(-c3ccc(C(F)(F)F)cc3)nc2C2CC2)cc1

HCID67072398

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c140e5f13a049a4877c50d24ea7baa0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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