HRID1219806

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID105144

Palladium(2+)

Pd+2

结构：N#Cc1ccc2cc(OS(=O)(=O)C(F)(F)F)ccc2c1

HCID15541822

6-Cyanonaphthalen-2-yl trifluoromethanesulfonate

C12H6F3NO3S

PRODUCTS

生成物

HCID12433083

Methyl 6-cyanonaphthalene-2-carboxylate

C13H9NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccddf9b882e34777abd913e9e0260400
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:1](#[N:2])[c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8]([O:13][S:14]([C:15]([F:16])([F:17])[F:18])(=[O:19])=[O:20])[cH:9][c:10]2[cH:11][cH:12]1.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:47][OH:48].[O-:55][C:56]([CH3:57])=[O:58].[O-:59][C:60]([CH3:61])=[O:62].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[Pd+2:54].[c:21]1([P:22]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8]([C:50]([O:48][CH3:47])=[O:49])[cH:9][c:10]2[cH:11][cH:12]1