HRID1126538

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID78747

2-Aminopyrazine

C4H5N3

结构：CC(Nc1nc(Cl)cc(N2CC(=O)NC(=O)C2)n1)c1ccc(F)cc1

HCID87235056

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1nc(Nc2cnccn2)cc(N2CC(=O)NC(=O)C2)n1)c1ccc(F)cc1

HCID67007411

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0911f5f73044da894d39055d3c5e507
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:41]1[O:42][CH2:43][CH2:44][O:45][CH2:46]1.[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cl:1][c:2]1[cH:3][c:4]([N:18]2[CH2:19][C:20](=[O:25])[NH:21][C:22](=[O:24])[CH2:23]2)[n:5][c:6]([NH:8][CH:9]([CH3:10])[c:11]2[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]2)[n:7]1.[K+:38].[K+:39].[K+:40].[NH2:26][c:27]1[n:28][cH:29][cH:30][n:31][cH:32]1.[P:33]([O-:34])([O-:35])([O-:36])=[O:37]>>[c:2]1([NH:26][c:27]2[n:28][cH:29][cH:30][n:31][cH:32]2)[cH:3][c:4]([N:18]2[CH2:19][C:20](=[O:25])[NH:21][C:22](=[O:24])[CH2:23]2)[n:5][c:6]([NH:8][CH:9]([CH3:10])[c:11]2[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]2)[n:7]1