HRID949266

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)C(CCSC)NC(=O)c1ccc(NCC2CSCN2C(=O)OC(C)(C)C)cc1-c1ccccc1

HCID178500621

未命名化合物

结构：COC(=O)C(CCSC)NC(=O)c1ccc(NC(=O)C2CSCN2C(=O)OC(C)(C)C)cc1-c1ccccc1

HCID178500626

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCSC)NC(=O)c1ccc(NCC2CSCN2)cc1-c1ccccc1

HCID178500620

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4c1d5b822f04ee9a810130d9e89126c
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8](-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:9][c:10]([NH:13][CH2:14][CH:15]2[N:16]([C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:17][S:18][CH2:19]2)[cH:11][cH:12]1)=[O:33])[CH2:34][CH2:35][S:36][CH3:37])=[O:38].[CH3:39][O:40][C:41](=[O:42])[CH:43]([CH2:44][CH2:45][S:46][CH3:47])[NH:48][C:49](=[O:50])[c:51]1[cH:52][cH:53][c:54]([NH:55][C:56]([CH:57]2[CH2:58][S:59][CH2:60][N:61]2[C:62]([O:63][C:64]([CH3:65])([CH3:66])[CH3:67])=[O:68])=[O:69])[cH:70][c:71]1-[c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8](-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:9][c:10]([NH:13][CH2:14][CH:15]2[NH:16][CH2:17][S:18][CH2:19]2)[cH:11][cH:12]1)=[O:33])[CH2:34][CH2:35][S:36][CH3:37])=[O:38]