HRID97551

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

HCID12109494

未命名化合物

HCID68502458

(2-{2-[4-(Trifluoromethyl)phenyl]ethenyl}-1,3-oxazol-4-yl)methanol

C13H10F3NO2

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-861b090c7e2545a885e846a8d67210c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br-:57].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH2:58]([N+:59]([CH2:60][CH2:61][CH2:62][CH3:63])([CH2:64][CH2:65][CH2:66][CH3:67])[CH2:68][CH2:69][CH2:70][CH3:71])[CH2:72][CH2:73][CH3:74].[CH3:29][S:30](=[O:31])(=[O:32])[Cl:33].[CH3:75][OH:76].[CH:20]([N:21]([CH:22]([CH3:23])[CH3:24])[CH2:25][CH3:26])([CH3:27])[CH3:28].[Na+:35].[OH-:34].[OH2:77].[OH:1][CH2:2][c:3]1[n:4][c:5]([CH:8]=[CH:9][c:10]2[cH:11][cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[o:6][cH:7]1.[n:36]1([CH2:41][CH2:42][CH2:43][CH2:44][c:45]2[cH:46][cH:47][c:48]([OH:51])[cH:49][cH:50]2)[n:37][n:38][cH:39][cH:40]1>>[O:1]([CH2:2][c:3]1[n:4][c:5]([CH:8]=[CH:9][c:10]2[cH:11][cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[o:6][cH:7]1)[c:48]1[cH:47][cH:46][c:45]([CH2:44][CH2:43][CH2:42][CH2:41][n:36]2[n:37][n:38][cH:39][cH:40]2)[cH:50][cH:49]1