HRID93206

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3612687

未命名化合物

结构：Cc1cnc(N2CCN(C(=O)c3ccc(Br)cc3S(C)(=O)=O)CC2)c(C)c1

HCID58484505

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(N2CCN(C(=O)c3ccc(N4C(=O)OC(C)(C)C4C(C)C)cc3S(C)(=O)=O)CC2)c(C)c1

HCID77275955

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4962b5fa58147d9978a5714300a7b6c
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

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