HRID178537

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID180

Acetone

C3H6O

HCID887

Methanol

CH4O

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID14660277

Isoquinolin-7-amine

C9H8N2

HCID57562931

6-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

C13H11ClFN5O2

PRODUCTS

生成物

结构：CC1(C)Oc2ccc(Nc3nc(Nc4ccc5ccncc5c4)ncc3F)nc2NC1=O

HCID53477410

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-edbd3f24958f44608faab57262d28123
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

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