HRID1133080

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)O)cc3)oc12

HCID57369945

未命名化合物

HCID68726676

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCC4(C(C)C)CCN(C(=O)OC(C)(C)C)CC4)cc3)oc12

HCID25171653

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c00ba1bda2645acb65ffb3a438e03a8
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

[C:19](#[N:20])[c:21]1[cH:22][c:23]([CH:39]([CH3:40])[CH3:41])[c:24]2[c:25]([n:26][c:27](-[c:29]3[cH:30][cH:31][c:32]([C:33](=[O:34])[OH:35])[cH:36][cH:37]3)[o:28]2)[cH:38]1.[NH2:1][CH2:2][C:3]1([CH:16]([CH3:17])[CH3:18])[CH2:4][CH2:5][N:6]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:7][CH2:8]1>>[NH:1]([CH2:2][C:3]1([CH:16]([CH3:17])[CH3:18])[CH2:4][CH2:5][N:6]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:7][CH2:8]1)[C:33]([c:32]1[cH:31][cH:30][c:29](-[c:27]2[n:26][c:25]3[c:24]([c:23]([CH:39]([CH3:40])[CH3:41])[cH:22][c:21]([C:19]#[N:20])[cH:38]3)[o:28]2)[cH:37][cH:36]1)=[O:34]