HRID1136057

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4083416

未命名化合物

结构：COc1ccc(C(=O)N2c3ccccc3C(O)CC2C)cc1OC

HCID22339204

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)N2c3ccccc3C(N3CCCc4cc(NC(=O)OC(C)(C)C)ccc43)CC2C)cc1OC

HCID22339238

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26a1c1ecb9b74c0a85fe9a4b43a29581
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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