HRID696879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cn1cc(CC(NC(=O)OC(C)(C)C)C(=O)O)c2ccccc21

HCID13821418

未命名化合物

结构：NC1Cc2cccc(N3CCCC3=O)c2N(Cc2ccsc2)C1=O

HCID59620330

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(CC(NC(=O)OC(C)(C)C)C(=O)NC2Cc3cccc(N4CCCC4=O)c3N(Cc3ccsc3)C2=O)c2ccccc21

HCID178480338

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30bb4dfa3d2c41bca287fda9ac66ad51
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[NH:32][CH:33]([C:34](=[O:35])[OH:36])[CH2:37][c:38]1[cH:39][n:40]([CH3:47])[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]12.[NH2:1][CH:2]1[C:3](=[O:24])[N:4]([CH2:18][c:19]2[cH:20][s:21][cH:22][cH:23]2)[c:5]2[c:6]([N:12]3[C:13](=[O:17])[CH2:14][CH2:15][CH2:16]3)[cH:7][cH:8][cH:9][c:10]2[CH2:11]1>>[NH:1]([CH:2]1[C:3](=[O:24])[N:4]([CH2:18][c:19]2[cH:20][s:21][cH:22][cH:23]2)[c:5]2[c:6]([N:12]3[C:13](=[O:17])[CH2:14][CH2:15][CH2:16]3)[cH:7][cH:8][cH:9][c:10]2[CH2:11]1)[C:34]([CH:33]([NH:32][C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:31])[CH2:37][c:38]1[cH:39][n:40]([CH3:47])[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]12)=[O:35]