HRID108797

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67264433

未命名化合物

HCID71742191

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)N(C(C)C)C(=O)CCC3(C)C)ncc1Cl

HCID53322608

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40a763830bb94117b5e262174bdead33
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:19][c:20]1[n:21][cH:22][c:23]([Cl:38])[c:24]([NH:26][c:27]2[c:28]([C:29](=[O:30])[NH:31][CH3:32])[cH:33][cH:34][cH:35][c:36]2[F:37])[n:25]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:18]1)[N:7]([CH:15]([CH3:16])[CH3:17])[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:18]1)[N:7]([CH:15]([CH3:16])[CH3:17])[C:8](=[O:14])[CH2:9][CH2:10][C:11]2([CH3:12])[CH3:13])[c:20]1[n:21][cH:22][c:23]([Cl:38])[c:24]([NH:26][c:27]2[c:28]([C:29](=[O:30])[NH:31][CH3:32])[cH:33][cH:34][cH:35][c:36]2[F:37])[n:25]1