HRID309904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID12109494

未命名化合物

结构：O=S(=O)([O-])CCc1coc(C=Cc2ccc(C(F)(F)F)cc2)n1

HCID178527642

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-9b983cd49dfa4206aae74bbd5fa4fc47
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

[Br-:42].[CH2:43]([N+:44]([CH2:45][CH2:46][CH2:47][CH3:48])([CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH3:59].[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH:9]=[CH:10][c:11]2[o:12][cH:13][c:14]([CH2:16][CH2:17][S:18]([O-:19])(=[O:20])=[O:21])[n:15]2)[cH:7][cH:8]1)([F:22])[F:23].[Na+:41].[OH-:40].[n:24]1([CH2:29][CH2:30][CH2:31][CH2:32][c:33]2[cH:34][cH:35][c:36]([OH:39])[cH:37][cH:38]2)[n:25][n:26][cH:27][cH:28]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH:9]=[CH:10][c:11]2[o:12][cH:13][c:14]([CH2:16][O:39][c:36]3[cH:35][cH:34][c:33]([CH2:32][CH2:31][CH2:30][CH2:29][n:24]4[n:25][n:26][cH:27][cH:28]4)[cH:38][cH:37]3)[n:15]2)[cH:7][cH:8]1)([F:22])[F:23]