HRID1207336

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID5975

Cyanide

CN-

2 次

HCID8058

n-Hexane

C6H14

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID32051

Zinc (II) cation

Zn+2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID14960646

5-Bromonaphthalene-2-carboxylic acid

C11H7BrO2

HCID178418750

未命名化合物

PRODUCTS

生成物

HCID69216040

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-216942b8b53745a18404a4189f05f273
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

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