HRID2315906

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID74741

Cyclohexanol, 1-vinyl-

C8H14O

HCID105144

Palladium(2+)

Pd+2

HCID86635868

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCC(O)c1cc(F)cc(C=CC2(O)CCCCC2)c1)C(F)(F)F

HCID91253569

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df916a27846f45b19c5294db25d6e12a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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