HRID194330

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)OC(=O)C1CC(Cc2ccccc2)C(c2ccccc2)N1C(=O)CNC(=O)Nc1cccc(C(=O)OCc2ccccc2)c1

HCID178450658

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C1CC(Cc2ccccc2)C(c2ccccc2)N1C(=O)CNC(=O)Nc1cccc(C(=O)O)c1

HCID19709557

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18604a3b781f45cfb8eb9cac2cfaaa00
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[CH2:25][CH:26]([CH2:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[CH:27]2[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)=[O:48])[cH:14][cH:15][cH:16]1.[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54]>>[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:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[CH2:25][CH:26]([CH2:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[CH:27]2[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)=[O:48])[cH:14][cH:15][cH:16]1