HRID1543690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID22049900

未命名化合物

HCID53396371

3-(4-Bromophenyl)prop-2-en-1-ol

C9H9BrO

PRODUCTS

生成物

结构：O=c1cc(OCc2ccc(F)cc2)ccn1-c1ccc(C=CCO)cc1

HCID66872850

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0544a3db4c5e419fba276206cb1c0976
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

[Br:17][c:18]1[cH:19][cH:20][c:21]([CH:24]=[CH:25][CH2:26][OH:27])[cH:22][cH:23]1.[C:29](=[O:30])([O-:31])[O-:32].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[cH:9][c:10](=[O:14])[nH:11][cH:12][cH:13]2)[cH:15][cH:16]1.[I-:28].[K+:33].[K+:34].[NH3:36].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:35]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[cH:9][c:10](=[O:14])[n:11](-[c:18]3[cH:19][cH:20][c:21]([CH:24]=[CH:25][CH2:26][OH:27])[cH:22][cH:23]3)[cH:12][cH:13]2)[cH:15][cH:16]1