HRID1228680

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID12109494

未命名化合物

HCID69068290

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1ccc(C=Cc2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1

HCID204100

1-(4-{4-[(2-{2-[4-(Trifluoromethyl)phenyl]ethenyl}-1,3-oxazol-4-yl)methoxy]phenyl}butyl)-1H-1,2,3-triazole

C25H23F3N4O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-053d368e5f6f4ed68c9dfc635bfddb63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:36](=[O:37])([O-:38])[O-:39].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[CH3:48][OH:49].[Cl:17][CH2:18][c:19]1[n:20][c:21]([CH:24]=[CH:25][c:26]2[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]2)[o:22][cH:23]1.[K+:40].[K+:41].[OH2:42].[n:1]1([CH2:6][CH2:7][CH2:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([OH:16])[cH:14][cH:15]2)[n:2][n:3][cH:4][cH:5]1>>[n:1]1([CH2:6][CH2:7][CH2:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([O:16][CH2:18][c:19]3[n:20][c:21]([CH:24]=[CH:25][c:26]4[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]4)[o:22][cH:23]3)[cH:14][cH:15]2)[n:2][n:3][cH:4][cH:5]1