HRID169604

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2724981

Phenol, 4-bromo-2-fluoro-

C6H4BrFO

结构：Cc1c(Cl)ncnc1OC1CCN(c2nc(C(C)C)no2)CC1

HCID86597366

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Oc2ccc(Br)cc2F)ncnc1OC1CCN(c2nc(C(C)C)no2)CC1

HCID59856763

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5a80cfe47b64c7c8fe878228fc02b6e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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