HRID174035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID7501

Styrene

C8H8

HCID8471

Triethylamine

C6H15N

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)(C)OC(=O)N1CC2CN(c3cncc(Cl)n3)CC2C1

HCID87330597

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CN(c3cncc(C=Cc4ccccc4)n3)CC2C1

HCID67265713

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-66641561af784b2cac7de1156f9753da
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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