HRID203744

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID7521

2-Vinylpyridine

C7H7N

HCID8471

Triethylamine

C6H15N

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID21984070

未命名化合物

PRODUCTS

生成物

结构：CCOCc1nc2c(N)nc3cc(C=Cc4ccccn4)ccc3c2n1CCCOC

HCID68817759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88c551d919ac45ba9e6f084403794ad4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:38][c:39]1[cH:40][cH:41][c:42]2[c:43]3[c:44]([c:45]([NH2:49])[n:46][c:47]2[cH:48]1)[n:50][c:51]([CH2:58][O:59][CH2:60][CH3:61])[n:52]3[CH2:53][CH2:54][CH2:55][O:56][CH3:57].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[CH:30](=[CH2:31])[c:32]1[n:33][cH:34][cH:35][cH:36][cH:37]1.[O-:63][C:64]([CH3:65])=[O:66].[O-:67][C:68]([CH3:69])=[O:70].[Pd+2:62].[c:1]1([CH3:2])[cH:3][cH:4][cH:5][cH:6][c:7]1[P:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][c:14]1[CH3:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][c:21]1[CH3:22]>>[CH:30](=[CH:31][c:39]1[cH:40][cH:41][c:42]2[c:43]3[c:44]([c:45]([NH2:49])[n:46][c:47]2[cH:48]1)[n:50][c:51]([CH2:58][O:59][CH2:60][CH3:61])[n:52]3[CH2:53][CH2:54][CH2:55][O:56][CH3:57])[c:32]1[n:33][cH:34][cH:35][cH:36][cH:37]1