HRID1540423

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID606037

7-Methoxybenzofuran-2-carboxylic acid

C10H8O4

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：COc1cccc2cc(C(=O)NC(CC(N)=O)C(=O)NC(Cc3ccccc3)C(O)C(=O)N3CC(Cl)CC3C(=O)NC(C)(C)C)oc12

HCID178488625

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8f9b3e3074a4441088263563ddd9a84b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[C:1]([O:2][C:6](=[O:7])[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)([CH3:3])([CH3:4])[CH3:5].[CH3:42][O:43][c:44]1[cH:45][cH:46][cH:47][c:48]2[cH:49][c:50]([C:53]([OH:54])=[O:55])[o:51][c:52]12>>[C:6](=[O:7])([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:50]1[cH:49][c:48]2[cH:47][cH:46][cH:45][c:44]([O:43][CH3:42])[c:52]2[o:51]1