HRID1132868

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID15458

tert-Butyl acrylate

C7H12O2

HCID105144

Palladium(2+)

Pd+2

HCID68654429

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C=Cc1ccc(C(=C2CCSCC2)c2ccc(O)cc2)cc1

HCID68978300

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-879fc903cb514f9cb7d3903bb72cbd2b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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