HRID1120257

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：CC(C)(C)SCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

HCID100111

未命名化合物

反应SMILES：CC(C)(C)OCC(NC(=O)OCc1ccccc1)C(=O)OC1CCCC1

HCID67052625

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)SCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC1CCCC1

HCID67052650

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-488ddab1f0974440b34f05b8350f6191
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:27]([CH3:28])([CH3:29])([CH3:30])[S:31][CH2:32][CH:33]([C:34](=[O:35])[OH:36])[NH:37][C:38](=[O:39])[O:40][CH2:41][CH:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2-[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]21.[CH:1]1([O:6][C:7](=[O:8])[CH:9]([NH:10][C:11]([O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)=[O:20])[CH2:21][O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:2][CH2:3][CH2:4][CH2:5]1>>[CH:1]1([O:35][C:34]([CH:33]([CH2:32][S:31][C:27]([CH3:28])([CH3:29])[CH3:30])[NH:37][C:38](=[O:39])[O:40][CH2:41][CH:42]2[c:43]3[cH:44][cH:45][cH:46][cH:47][c:48]3-[c:49]3[cH:50][cH:51][cH:52][cH:53][c:54]32)=[O:36])[CH2:2][CH2:3][CH2:4][CH2:5]1