HRID1546082

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

结构：COc1cc(CC(=O)Nc2cccc(C=Cc3cccc(C)c3)c2)ccc1OCCNC(=O)OC(C)(C)C

HCID69664002

未命名化合物

PRODUCTS

生成物

HCID22019597

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52e661e293c24fecaecd627d50c49bac
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]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][O:11][c:12]1[c:13]([O:37][CH3:38])[cH:14][c:15]([CH2:18][C:19](=[O:20])[NH:21][c:22]2[cH:23][c:24]([CH:28]=[CH:29][c:30]3[cH:31][c:32]([CH3:36])[cH:33][cH:34][cH:35]3)[cH:25][cH:26][cH:27]2)[cH:16][cH:17]1.[CH3:39][OH:40].[CH3:41][C:42](=[O:43])[OH:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][O:11][c:12]1[c:13]([O:37][CH3:38])[cH:14][c:15]([CH2:18][C:19](=[O:20])[NH:21][c:22]2[cH:23][c:24]([CH2:28][CH2:29][c:30]3[cH:31][c:32]([CH3:36])[cH:33][cH:34][cH:35]3)[cH:25][cH:26][cH:27]2)[cH:16][cH:17]1