HRID1202230

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)CCC(CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC1CC2CCC1C2

HCID178443752

未命名化合物

结构：CC(CC(O)C(N)Cc1ccccc1)C(=O)NC1CC2CCC1C2

HCID178450599

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCC(CC(O)C(N)Cc1ccccc1)C(=O)NC1CC2CCC1C2

HCID178443785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-faeca78ed15243a0b62b062a1a40d777
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[NH:7][CH:8]([CH:9]([CH2:10][CH:11]([CH2:12][CH2:13][CH:14]([CH3:15])[CH3:16])[C:17]([NH:18][CH:19]1[CH:20]2[CH2:21][CH2:22][CH:23]([CH2:24]1)[CH2:25]2)=[O:26])[OH:27])[CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)([CH3:5])([CH3:6])[CH3:35].[CH:36]12[CH2:37][CH:38]([CH2:39][CH2:40]1)[CH2:41][CH:42]2[NH:43][C:44](=[O:45])[CH:46]([CH3:47])[CH2:48][CH:49]([OH:50])[CH:51]([NH2:52])[CH2:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[NH2:7][CH:8]([CH:9]([CH2:10][CH:11]([CH2:12][CH2:13][CH:14]([CH3:15])[CH3:16])[C:17]([NH:18][CH:19]1[CH:20]2[CH2:21][CH2:22][CH:23]([CH2:24]1)[CH2:25]2)=[O:26])[OH:27])[CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1