HRID171393

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID947

Nitrogen

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID821864

3-bromo-2-methylbenzo[b]thiophene

C9H7BrS

HCID68841267

2,6-Dimethyl-8-(pentan-3-yl)imidazo[1,2-b]pyridazine

C13H19N3

PRODUCTS

生成物

结构：CCC(CC)c1cc(C)nn2c(-c3c(C)sc4ccccc34)c(C)nc12

HCID57752647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1700b75a01fd42b0b2ebccf51f55ed81
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

[Br:17][c:18]1[c:19]2[c:20]([s:21][c:22]1[CH3:23])[cH:24][cH:25][cH:26][cH:27]2.[C:47](=[O:48])([O-:49])[O-:50].[C:55]([O-:56])(=[O:57])[CH3:58].[C:60]([O-:61])(=[O:62])[CH3:63].[CH2:1]([CH3:2])[CH:3]([CH2:4][CH3:5])[c:6]1[c:7]2[n:8]([n:9][c:10]([CH3:12])[cH:11]1)[cH:13][c:14]([CH3:16])[n:15]2.[Cs+:51].[Cs+:52].[N:53]#[N:54].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[Pd+2:59].[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>>[CH2:1]([CH3:2])[CH:3]([CH2:4][CH3:5])[c:6]1[c:7]2[n:8]([n:9][c:10]([CH3:12])[cH:11]1)[c:13](-[c:18]1[c:19]3[c:20]([s:21][c:22]1[CH3:23])[cH:24][cH:25][cH:26][cH:27]3)[c:14]([CH3:16])[n:15]2