HRID147322

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID28979527

未命名化合物

反应SMILES：N#Cc1ccc2[nH]c(CCC(F)(F)F)cc2c1C(F)(F)F

HCID57800210

未命名化合物

PRODUCTS

产物

反应SMILES：N#Cc1ccc2c(cc(CCC(F)(F)F)n2Cc2noc(-c3cncc(Br)c3)n2)c1C(F)(F)F

HCID57800264

1-{[5-(5-Bromo-3-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl}-4-(trifluoromethyl)-2-(3,3,3-trifluoropropyl)-1H-indole-5-carbonitrile

C21H12BrF6N5O

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ea4a441eb00a43eabbf1695eb4ffcfa0
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:28][c:29]1[cH:30][n:31][cH:32][c:33](-[c:35]2[n:36][c:37]([CH2:40][Cl:41])[n:38][o:39]2)[cH:34]1.[C:22](=[O:23])([O-:24])[O-:25].[CH3:42][C:43]#[N:44].[Cs+:26].[Cs+:27].[F:1][C:2]([c:3]1[c:4]2[cH:5][c:6]([CH2:14][CH2:15][C:16]([F:17])([F:18])[F:19])[nH:7][c:8]2[cH:9][cH:10][c:11]1[C:12]#[N:13])([F:20])[F:21]>>[F:1][C:2]([c:3]1[c:4]2[cH:5][c:6]([CH2:14][CH2:15][C:16]([F:17])([F:18])[F:19])[n:7]([CH2:40][c:37]3[n:36][c:35](-[c:33]4[cH:32][n:31][cH:30][c:29]([Br:28])[cH:34]4)[o:39][n:38]3)[c:8]2[cH:9][cH:10][c:11]1[C:12]#[N:13])([F:20])[F:21]