HRID115122

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID12286

3-Bromopyridine

C5H4BrN

HCID105144

Palladium(2+)

Pd+2

结构：C=Cc1cccc(CC2CN(C(=O)OC(C)(C)C)CCO2)c1

HCID67073046

未命名化合物

结构：CC(C)(C)OC(=O)N1CCOC(Cc2cccc(CO)c2)C1

HCID67073063

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCOC(Cc2cccc(C=Cc3cccnc3)c2)C1

HCID77221556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf2f6048c7ac4814803d8b720db35ec2
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[cH:3][n:4][cH:5][cH:6][cH:7]1.[C:30](=[O:31])([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[N:37]1[CH2:38][CH:39]([CH2:43][c:44]2[cH:45][c:46]([CH:50]=[CH2:51])[cH:47][cH:48][cH:49]2)[O:40][CH2:41][CH2:42]1.[C:55]([O-:56])(=[O:57])[CH3:58].[C:60]([O-:61])(=[O:62])[CH3:63].[C:8]([N:9]1[CH2:10][CH2:11][O:12][CH:13]([CH2:14][c:15]2[cH:16][cH:17][cH:18][c:19]([CH2:20][OH:21])[cH:22]2)[CH2:23]1)([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29].[CH3:52][C:53]#[N:54].[Pd+2:59]>>[c:2]1([CH:51]=[CH:50][c:46]2[cH:45][c:44]([CH2:43][CH:39]3[CH2:38][N:37]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:42][CH2:41][O:40]3)[cH:49][cH:48][cH:47]2)[cH:3][n:4][cH:5][cH:6][cH:7]1