HRID1134955

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID53397519

未命名化合物

结构：CCOC(OCC)C(C)N(Cc1csc2ccccc12)C(=O)C(N)Cc1ccc(OC(C)(C)C)cc1

HCID67088283

未命名化合物

PRODUCTS

生成物

结构：CCOC(OCC)C(C)N(Cc1csc2ccccc12)C(=O)C(Cc1ccc(OC(C)(C)C)cc1)NC(=O)CONC(=O)NCc1ccncc1

HCID87263392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a6200de1411487c9d3c15552813b42f
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

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