HRID152887

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID53397488

未命名化合物

结构：CCOC(OCC)C(C)N(Cc1cccc2cccnc12)C(=O)C(N)Cc1ccc(OC(C)(C)C)cc1

HCID67075565

未命名化合物

PRODUCTS

生成物

结构：CCOC(OCC)C(C)N(Cc1cccc2cccnc12)C(=O)C(Cc1ccc(OC(C)(C)C)cc1)NC(=O)CONC(=O)NCc1ccccc1

HCID87259564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7eb89347d7e0438080c1983b40058ee1
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)[NH:8][C:9]([NH:10][O:11][CH2:12][C:13](=[O:14])[OH:15])=[O:16].[NH2:17][CH:18]([C:19](=[O:20])[N:21]([CH2:22][c:23]1[cH:24][cH:25][cH:26][c:27]2[cH:28][cH:29][cH:30][n:31][c:32]12)[CH:33]([CH:34]([O:35][CH2:36][CH3:37])[O:38][CH2:39][CH3:40])[CH3:41])[CH2:42][c:43]1[cH:44][cH:45][c:46]([O:49][C:50]([CH3:51])([CH3:52])[CH3:53])[cH:47][cH:48]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][C:9]([NH:10][O:11][CH2:12][C:13](=[O:15])[NH:17][CH:18]([C:19](=[O:20])[N:21]([CH2:22][c:23]1[cH:24][cH:25][cH:26][c:27]2[cH:28][cH:29][cH:30][n:31][c:32]12)[CH:33]([CH:34]([O:35][CH2:36][CH3:37])[O:38][CH2:39][CH3:40])[CH3:41])[CH2:42][c:43]1[cH:44][cH:45][c:46]([O:49][C:50]([CH3:51])([CH3:52])[CH3:53])[cH:47][cH:48]1)=[O:16]