HRID1219989

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID3858901

4-Iodo-2-(methylthio)pyrimidine

C5H5IN2S

HCID57438769

8-(Cyclopropylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazine

C16H14FN3

PRODUCTS

生成物

结构：CSc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CC4CC4)nccn23)n1

HCID58869535

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-502ef90c66c34b1fabadef86087959c8
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

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