HRID306713

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7622

Tributylamine

C12H27N

HCID8857

Ethyl acetate

C4H8O2

HCID11610

1-Heptene

C7H14

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

结构：CCCOc1ccccc1-c1nc2c(I)cccc2c(=O)[nH]1

HCID135549372

未命名化合物

PRODUCTS

生成物

结构：CCCCCC=Cc1cccc2c(=O)[nH]c(-c3ccccc3OCCC)nc12

HCID136132475

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de69f6391cae41059c6903a62c0882f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:1]([CH2:2][CH3:3])[O:4][c:5]1[c:6](-[c:11]2[n:12][c:13]3[c:14]([I:22])[cH:15][cH:16][cH:17][c:18]3[c:19](=[O:21])[nH:20]2)[cH:7][cH:8][cH:9][cH:10]1.[CH2:36]=[CH:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42].[CH3:23][CH2:24][CH2:25][CH2:26][N:27]([CH2:28][CH2:29][CH2:30][CH3:31])[CH2:32][CH2:33][CH2:34][CH3:35].[CH3:79][CH2:80][O:81][C:82](=[O:83])[CH3:84].[O-:71][C:72]([CH3:73])=[O:74].[O-:75][C:76]([CH3:77])=[O:78].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[Pd+2:70].[c:43]1([CH3:44])[cH:45][cH:46][cH:47][cH:48][c:49]1[P:50]([c:51]1[cH:52][cH:53][cH:54][cH:55][c:56]1[CH3:57])[c:58]1[cH:59][cH:60][cH:61][cH:62][c:63]1[CH3:64]>>[CH2:1]([CH2:2][CH3:3])[O:4][c:5]1[c:6](-[c:11]2[n:12][c:13]3[c:14]([CH:36]=[CH:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42])[cH:15][cH:16][cH:17][c:18]3[c:19](=[O:21])[nH:20]2)[cH:7][cH:8][cH:9][cH:10]1