HRID120940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：O=C(NC(COC1CCCO1)C(=O)O)OCc1ccccc1

HCID19049915

未命名化合物

反应SMILES：CC(C)(C)NC(=O)C1CC(Cl)CN1C(=O)C(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)OC(C)(C)C

HCID178449330

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)NC(=O)C1CC(Cl)CN1C(=O)C(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)C(COC1CCCO1)NC(=O)OCc1ccccc1

HCID178449328

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-06242c4ffd2a4efcbab2e12fc39ddf29
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

[C:1]([O:2][C:3](=[O:4])[NH:8][CH:9]([CH2:10][C:11]([NH2:12])=[O:13])[C:14](=[O:15])[NH:16][CH:17]([CH:18]([C:19](=[O:20])[N:21]1[CH:22]([C:23](=[O:24])[NH:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:30][CH:31]([Cl:33])[CH2:32]1)[OH:34])[CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)([CH3:5])([CH3:6])[CH3:7].[CH2:42]([c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[O:49][C:50](=[O:51])[NH:52][CH:53]([C:54](=[O:55])[OH:56])[CH2:57][O:58][CH:59]1[O:60][CH2:61][CH2:62][CH2:63]1>>[NH:8]([CH:9]([CH2:10][C:11]([NH2:12])=[O:13])[C:14](=[O:15])[NH:16][CH:17]([CH:18]([C:19](=[O:20])[N:21]1[CH:22]([C:23](=[O:24])[NH:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:30][CH:31]([Cl:33])[CH2:32]1)[OH:34])[CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[C:54]([CH:53]([NH:52][C:50]([O:49][CH2:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)=[O:51])[CH2:57][O:58][CH:59]1[O:60][CH2:61][CH2:62][CH2:63]1)=[O:56]