HRID1233474

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID67883

4-Fluorostyrene

C8H7F

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)(C)OC(=O)N1CC2CN(c3cncc(Br)c3)CC2C1

HCID67265945

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CN(c3cncc(C=Cc4ccc(F)cc4)c3)CC2C1

HCID67265492

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-361f0d0f13bc4193a620daae7acdb1d2
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][c:4]([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)[cH:5][n:6][cH:7]1.[CH3:32][C:33]#[N:34].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[F:23][c:24]1[cH:25][cH:26][c:27]([CH:28]=[CH2:29])[cH:30][cH:31]1.[O-:43][C:44]([CH3:45])=[O:46].[O-:47][C:48]([CH3:49])=[O:50].[Pd+2:42]>>[c:2]1([CH:29]=[CH:28][c:27]2[cH:26][cH:25][c:24]([F:23])[cH:31][cH:30]2)[cH:3][c:4]([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)[cH:5][n:6][cH:7]1