HRID2160725

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

HCID8857

Ethyl acetate

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID2737811

4-Carbamoylphenylboronic acid

C7H8BNO3

结构：CC(C)(C)OC(=O)N1CCC2(CC1)CN(C1CCc3cc(Br)ccc31)C2

HCID67407775

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC2(CC1)CN(C1CCc3cc(-c4ccc(C(N)=O)cc4)ccc31)C2

HCID77286274

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da6c7500d8584484b78fda305fd2ccf9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]2([CH2:12][N:13]([CH:15]3[CH2:16][CH2:17][c:18]4[cH:19][c:20]([Br:24])[cH:21][cH:22][c:23]43)[CH2:14]2)[CH2:25][CH2:26]1.[C:27]([NH2:28])(=[O:29])[c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1.[CH3:47][C:48]#[N:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH:39]([NH:40][CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[O-:57][C:58]([CH3:59])=[O:60].[O-:61][C:62]([CH3:63])=[O:64].[OH2:46].[Pd+2:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]2([CH2:12][N:13]([CH:15]3[CH2:16][CH2:17][c:18]4[cH:19][c:20](-[c:33]5[cH:32][cH:31][c:30]([C:27]([NH2:28])=[O:29])[cH:35][cH:34]5)[cH:21][cH:22][c:23]43)[CH2:14]2)[CH2:25][CH2:26]1