HRID99839

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID81129

Benzaldehyde, 2-bromo-

C7H5BrO

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)(C)OC(=O)NC1(c2ccc(C#Cc3ccccc3)cc2)CCC1

HCID57805483

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(c2ccc(C3=C(c4ccccc4)c4ccccc4C3=O)cc2)CCC1

HCID67067872

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cdb2e7a5325f4a35ac9db02b29d7f61b
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

[Br:1][c:2]1[c:3]([CH:4]=[O:5])[cH:6][cH:7][cH:8][cH:9]1.[C:65]([O-:66])(=[O:67])[CH3:68].[C:70]([O-:71])(=[O:72])[CH3:73].[CH2:43]([N+:44]([CH2:45][CH2:46][CH2:47][CH3:48])([CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH3:59].[CH3:37][C:38](=[O:39])[O-:40].[Cl-:42].[Na+:36].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:41].[Pd+2:69].[c:10]1([C:16]#[C:17][c:18]2[cH:19][cH:20][c:21]([C:24]3([NH:28][C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:25][CH2:26][CH2:27]3)[cH:22][cH:23]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[c:2]12[c:3]([cH:6][cH:7][cH:8][cH:9]1)[C:4](=[O:5])[C:17]([c:18]1[cH:19][cH:20][c:21]([C:24]3([NH:28][C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:25][CH2:26][CH2:27]3)[cH:22][cH:23]1)=[C:16]2[c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1