HRID691213

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID53397416

未命名化合物

结构：CCOC(OCC)C(C)N(Cc1csc2ccccc12)C(=O)C(N)CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID77221773

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)NOCC(=O)NC(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N(Cc1csc2ccccc12)C(C)C(OCC)OCC

HCID87263533

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8ee92858b5d46ab9426a45d2d7d35e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:1]([CH3:2])[NH:3][C:4]([NH:5][O:6][CH2:7][C:8](=[O:9])[OH:10])=[O:11].[NH2:12][CH:13]([C:14](=[O:15])[N:16]([CH:17]([CH:18]([O:19][CH2:20][CH3:21])[O:22][CH2:23][CH3:24])[CH3:25])[CH2:26][c:27]1[c:28]2[c:29]([s:30][cH:31]1)[cH:32][cH:33][cH:34][cH:35]2)[CH2:36][C:37](=[O:38])[NH:39][C:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)([c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[CH2:1]([CH3:2])[NH:3][C:4]([NH:5][O:6][CH2:7][C:8](=[O:10])[NH:12][CH:13]([C:14](=[O:15])[N:16]([CH:17]([CH:18]([O:19][CH2:20][CH3:21])[O:22][CH2:23][CH3:24])[CH3:25])[CH2:26][c:27]1[c:28]2[c:29]([s:30][cH:31]1)[cH:32][cH:33][cH:34][cH:35]2)[CH2:36][C:37](=[O:38])[NH:39][C:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)([c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)=[O:11]