HRID1225769

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID7912

Diisopropylamine

C6H15N

HCID105144

Palladium(2+)

Pd+2

HCID5233012

2-Ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C8H15BO2

结构：Cc1oncc1-c1ccc(CC(=O)NC(C)c2ccc(Br)cn2)cc1

HCID91204965

未命名化合物

PRODUCTS

生成物

结构：C=Cc1ccc(C(C)NC(=O)Cc2ccc(-c3cnoc3C)cc2)nc1

HCID91098957

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d72efd8f7324a24b9514e19afbfcf32
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH3:9])[NH:10][C:11]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[cH:20][n:21][o:22][c:23]3[CH3:24])[cH:17][cH:18]2)=[O:25])[n:6][cH:7]1.[CH3:44][C:45]#[N:46].[CH:26](=[CH2:27])[B:28]1[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]1.[CH:37]([NH:38][CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[O-:49][C:50]([CH3:51])=[O:52].[O-:53][C:54]([CH3:55])=[O:56].[OH2:47].[Pd+2:48]>>[c:2]1([CH:26]=[CH2:27])[cH:3][cH:4][c:5]([CH:8]([CH3:9])[NH:10][C:11]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[cH:20][n:21][o:22][c:23]3[CH3:24])[cH:17][cH:18]2)=[O:25])[n:6][cH:7]1