HRID142226

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)C1CC(C(=O)OC(C)(C)C)N(C(=O)CNC(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)C1c1ccccc1

HCID178498312

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CC(C(=O)OC(C)(C)C)N(C(=O)CNC(=O)Nc2cccc(C(=O)O)c2)C1c1ccccc1

HCID19709667

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-042dfbbead9e444298bacb87a267acc9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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