HRID317295

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID7502

4-Vinylpyridine

C7H7N

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID105144

Palladium(2+)

Pd+2

HCID11174597

未命名化合物

PRODUCTS

生成物

结构：CC(C)Cn1cnc2c(N)nc3ccc(C=Cc4ccncc4)cc3c21

HCID68818774

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebd71becd9ad415c9c4e98fc051324bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]([c:7]([NH2:12])[n:8][c:9]2[cH:10][cH:11]1)[n:13][cH:14][n:15]3[CH2:16][CH:17]([CH3:18])[CH3:19].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:54][C:55]#[N:56].[CH:20](=[CH2:21])[c:22]1[cH:23][cH:24][n:25][cH:26][cH:27]1.[O-:58][C:59]([CH3:60])=[O:61].[O-:62][C:63]([CH3:64])=[O:65].[Pd+2:57].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[c:2]1([CH:21]=[CH:20][c:22]2[cH:23][cH:24][n:25][cH:26][cH:27]2)[cH:3][c:4]2[c:5]3[c:6]([c:7]([NH2:12])[n:8][c:9]2[cH:10][cH:11]1)[n:13][cH:14][n:15]3[CH2:16][CH:17]([CH3:18])[CH3:19]