HRID115618

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67264065

未命名化合物

HCID76446949

3-(2,5-Dichloro-pyrimidin-4-ylamino)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide

C12H12Cl2N4O

PRODUCTS

生成物

结构：CCN1C(=O)CCC(C)(C)c2ccc(Nc3ncc(Cl)c(NC4C5C=CC(C5)C4C(N)=O)n3)cc21

HCID178462943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-919e22a5fcc041639100ecc975a9ca05
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Cl:18][c:19]1[n:20][cH:21][c:22]([Cl:36])[c:23]([NH:25][CH:26]2[CH:27]([C:33](=[O:34])[NH2:35])[CH:28]3[CH:29]=[CH:30][CH:31]2[CH2:32]3)[n:24]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[N:7]([CH2:15][CH3:16])[C:8](=[O:14])[CH2:9][CH2:10][C:11]2([CH3:12])[CH3:13]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[N:7]([CH2:15][CH3:16])[C:8](=[O:14])[CH2:9][CH2:10][C:11]2([CH3:12])[CH3:13])[c:19]1[n:20][cH:21][c:22]([Cl:36])[c:23]([NH:25][CH:26]2[CH:27]([C:33](=[O:34])[NH2:35])[CH:28]3[CH:29]=[CH:30][CH:31]2[CH2:32]3)[n:24]1