HRID2127762

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5147014

3-(1,1-Dimethylethyl) 3,4-thiazolidinedicarboxylate

C9H15NO4S

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

HCID23436016

未命名化合物

PRODUCTS

生成物

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

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b9e684bb1254ccaaded6fb8f97d7490
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][S:10][CH2:11][CH:12]1[C:13](=[O:14])[OH:15].[CH3:16][O:17][C:18]([CH:19]([NH:20][C:21]([c:22]1[c:23](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:24][c:25]([NH2:28])[cH:26][cH:27]1)=[O:35])[CH2:36][CH2:37][S:38][CH3:39])=[O:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][S:10][CH2:11][CH:12]1[C:13](=[O:15])[NH:28][c:25]1[cH:24][c:23](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:22]([C:21]([NH:20][CH:19]([C:18]([O:17][CH3:16])=[O:40])[CH2:36][CH2:37][S:38][CH3:39])=[O:35])[cH:27][cH:26]1