HRID937269

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID9743

3-Fluorophenol

C6H5FO

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID70700

Dipivaloylmethane

C11H20O2

HCID104967

Cesium(1+)

Cs+

2 次

结构：COc1ccc(Cn2ncc3c(N4CCN(C(=O)OC(C)(C)C)CC4)c(I)cnc32)cc1

HCID68758063

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2ncc3c(N4CCN(C(=O)OC(C)(C)C)CC4)c(Oc4cccc(F)c4)cnc32)cc1

HCID68765011

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e76d4553cae4a708f135d4e2f8abe5a
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:46](=[O:47])([O-:48])[O-:49].[CH3:33][C:34]([CH3:35])([C:36](=[O:37])[CH2:38][C:39](=[O:40])[C:41]([CH3:42])([CH3:43])[CH3:44])[CH3:45].[CH3:60][N:61]1[CH2:62][CH2:63][CH2:64][C:65]1=[O:66].[Cs+:50].[Cs+:51].[F:52][c:53]1[cH:54][c:55]([OH:59])[cH:56][cH:57][cH:58]1.[I:1][c:2]1[c:3]([N:20]2[CH2:21][CH2:22][N:23]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:24][CH2:25]2)[c:4]2[c:5]([n:6][cH:7]1)[n:8]([CH2:11][c:12]1[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[n:9][cH:10]2.[OH2:67]>>[c:2]1([O:59][c:55]2[cH:54][c:53]([F:52])[cH:58][cH:57][cH:56]2)[c:3]([N:20]2[CH2:21][CH2:22][N:23]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:24][CH2:25]2)[c:4]2[c:5]([n:6][cH:7]1)[n:8]([CH2:11][c:12]1[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[n:9][cH:10]2