HRID148408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)C(NC(=O)OCc1ccccc1)C(SCCNC(=O)OC(C)(C)C)c1cccc2ccccc12

HCID68607665

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COC(=O)C(NC(=O)OCc1ccccc1)C(SCCN)c1cccc2ccccc12

HCID68605808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fbaa1b8a63cf48128d5416077530421f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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