HRID2316991

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)NC(=O)C1C(O)CCN1C(=O)OC(C)(C)C

HCID178449402

未命名化合物

结构：NC(=O)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)C(=O)O

HCID178513934

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)C1C(O)CCN1C(=O)C(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)OCc1ccccc1

HCID178449401

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36b273da5ceb44e29d5ec977c7b010a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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