HRID183312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID284

Formic acid

CH2O2

HCID6342

Acetonitrile

C2H3N

HCID7622

Tributylamine

C12H27N

HCID105144

Palladium(2+)

Pd+2

结构：COC(=O)c1ccc(I)c(OC=C(C)c2ccc3c(c2)C(C)(C)CCC3(C)C)c1

HCID53640751

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(c1)OCC2(C)c1ccc2c(c1)C(C)(C)CCC2(C)C

HCID15385055

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1990812ea1b3410d9b89e643fd00491a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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