HRID308642

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：COC(=O)C1=C(C)NC(=O)CC1c1ccc(C(F)(F)F)cc1

HCID2854419

未命名化合物

HCID4067207

3-Methoxybenzyl bromide

C8H9BrO

PRODUCTS

生成物

结构：COC(=O)C1=C(C)N(Cc2cccc(OC)c2)C(=O)CC1c1ccc(C(F)(F)F)cc1

HCID68828345

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-acada5d0f26c48b29cdae4956e36e65e
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:23](=[O:24])([O-:25])[O-:26].[CH3:29][O:30][c:31]1[cH:32][c:33]([CH2:34][Br:35])[cH:36][cH:37][cH:38]1.[Cs+:27].[Cs+:28].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH:9]2[C:10]([C:17](=[O:18])[O:19][CH3:20])=[C:11]([CH3:16])[NH:12][C:13](=[O:15])[CH2:14]2)[cH:7][cH:8]1)([F:21])[F:22].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:44]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH:9]2[C:10]([C:17](=[O:18])[O:19][CH3:20])=[C:11]([CH3:16])[N:12]([CH2:34][c:33]3[cH:32][c:31]([O:30][CH3:29])[cH:38][cH:37][cH:36]3)[C:13](=[O:15])[CH2:14]2)[cH:7][cH:8]1)([F:21])[F:22]