HRID683707

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8821

Ethyl acrylate

C5H8O2

HCID8857

Ethyl acetate

C4H8O2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID81531

Diisopropylethylamine

C8H19N

HCID105144

Palladium(2+)

Pd+2

HCID4397176

2-Chloro-5-iodopyridine

C5H3ClIN

PRODUCTS

生成物

HCID53406713

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14069730aa0a4235a5ce1e7938c09f46
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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