HRID114422

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：C=C(COc1cc2c(cc1I)C(C)(C)CCC2(C)C)c1cc(C(=O)OC)cs1

HCID67582983

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1csc(C2(C)COc3cc4c(cc32)C(C)(C)CCC4(C)C)c1

HCID67581120

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b32b6fdd65b54aea8597ecb2ffccf4dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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