HRID2143631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID21817667

2,6-Dimethylimidazo[1,2-b]pyridazine

C8H9N3

HCID57752681

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)c1cc(C)nn2c(-c3c(C)nc4ccc(C)nn34)c(C)nc12

HCID68857285

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed753c207645454fba1592c32fb7dda6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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