HRID179940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID90469

1,4-Dihydro-2H-isoquinolin-3-one

C9H9NO

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID1484519

4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C9H14ClN5

PRODUCTS

生成物

结构：CN1CCN(c2cc(N3Cc4ccccc4CC3=O)nc(N)n2)CC1

HCID46701321

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a4abbd17a9243659d580cabadea88df
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:27](=[O:28])([O-:29])[O-:30].[C:39]([O-:40])(=[O:41])[CH3:42].[C:44]([O-:45])(=[O:46])[CH3:47].[CH2:16]1[NH:17][C:18](=[O:26])[CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]21.[CH2:33]1[O:34][CH2:35][CH2:36][O:37][CH2:38]1.[Cl:1][c:2]1[n:3][c:4]([NH2:15])[n:5][c:6]([N:8]2[CH2:9][CH2:10][N:11]([CH3:14])[CH2:12][CH2:13]2)[cH:7]1.[Cs+:31].[Cs+:32].[Pd+2:43]>>[c:2]1([N:17]2[CH2:16][c:25]3[c:20]([cH:21][cH:22][cH:23][cH:24]3)[CH2:19][C:18]2=[O:26])[n:3][c:4]([NH2:15])[n:5][c:6]([N:8]2[CH2:9][CH2:10][N:11]([CH3:14])[CH2:12][CH2:13]2)[cH:7]1