HRID1129752

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

2 次

结构：CCCCCS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCN(CC(O)c3ccccc3)C(=O)OC(C)(C)C)cc2)cc1OC(C)C

HCID178447791

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCCCCS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNCC(O)c3ccccc3)cc2)cc1OC(C)C

HCID178447790

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ecf311f5cf94432a4e050d35055d976
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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