HRID1209479

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)(C)OC(=O)NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

HCID89557

未命名化合物

HCID54178236

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1CC1(C(=O)OCc2ccccn2)CCN(C(=O)C(CSC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OC(C)(C)C)CC1

HCID178424219

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ebe595f6c8f41ee86c67a6209560155
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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