HRID141999

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67263407

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

HCID313

Hydrochloric Acid

ClH

结构：COc1c(Nc2ncc(Cl)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc2c1C(=O)CC(NC(C)=O)CC2

HCID178493695

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9f6eacc7ac34237999729e91f29bcf7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:19])[c:6]([NH:8][CH:9]2[CH:10]([C:16](=[O:17])[NH2:18])[CH:11]3[CH:12]=[CH:13][CH:14]2[CH2:15]3)[n:7]1.[NH2:20][c:21]1[cH:22][cH:23][c:24]2[c:25]([c:36]1[O:37][CH3:38])[C:26](=[O:35])[CH2:27][CH:28]([NH:31][C:32]([CH3:33])=[O:34])[CH2:29][CH2:30]2>>[ClH:1].[c:2]1([NH:20][c:21]2[cH:22][cH:23][c:24]3[c:25]([c:36]2[O:37][CH3:38])[C:26](=[O:35])[CH2:27][CH:28]([NH:31][C:32]([CH3:33])=[O:34])[CH2:29][CH2:30]3)[n:3][cH:4][c:5]([Cl:19])[c:6]([NH:8][CH:9]2[CH:10]([C:16](=[O:17])[NH2:18])[CH:11]3[CH:12]=[CH:13][CH:14]2[CH2:15]3)[n:7]1