HRID86479

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)NCc1ccc(CC(N)C=CS(C)(=O)=O)cc1

HCID78113116

未命名化合物

结构：CC(C)(C)OC(=O)NCCCCC(C=CS(C)(=O)=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID178453383

未命名化合物

PRODUCTS

生成物

HCID178453404

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-584fbc60bc5b49b38f9c79cb67490e1d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][CH:21]([CH2:22][CH2:23][CH2:24][CH2:25][NH:26][C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[CH:34]=[CH:35][S:36](=[O:37])(=[O:38])[CH3:39].[CH3:40][S:41]([CH:42]=[CH:43][CH:44]([NH2:45])[CH2:46][c:47]1[cH:48][cH:49][c:50]([CH2:51][NH:52][C:53](=[O:54])[O:55][C:56]([CH3:57])([CH3:58])[CH3:59])[cH:60][cH:61]1)(=[O:62])=[O:63]>>[NH2:20][CH:21]([CH2:22][CH2:23][CH2:24][CH2:25][NH:26][C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[CH:34]=[CH:35][S:36](=[O:37])(=[O:38])[CH3:39]