HRID101279

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67263962

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：COc1cc2c(cc1Nc1ncc(Cl)c(NC3C4C=CC(C4)C3C(N)=O)n1)CCN(CC(C)(C)O)CC2

HCID77256020

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5db6025915a1489aa170060179e17653
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: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][c:23]2[c:24]([cH:35][c:36]1[O:37][CH3:38])[CH2:25][CH2:26][N:27]([CH2:30][C:31]([CH3:32])([OH:33])[CH3:34])[CH2:28][CH2:29]2>>[c:2]1([NH:20][c:21]2[cH:22][c:23]3[c:24]([cH:35][c:36]2[O:37][CH3:38])[CH2:25][CH2:26][N:27]([CH2:30][C:31]([CH3:32])([OH:33])[CH3:34])[CH2:28][CH2:29]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