HRID1572232

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID105144

Palladium(2+)

Pd+2

HCID17930139

未命名化合物

HCID53396436

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc2cc(C=CC(=O)N(C)Cc3sc4ccccc4c3C)cnc2[nH]c1=O

HCID66967649

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87784140767346c5a18757b6e13bd607
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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