HRID1567486

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

结构：C=CCCCN(CC(NC(=O)OC(C)(C)C)C(=O)N1CC(OC)(c2ccc(-c3ccccc3)cc2)CC1C(=O)OC)S(=O)(=O)c1ccccc1[N+](=O)[O-]

HCID178446389

未命名化合物

PRODUCTS

生成物

结构：C=CCCCN(CC(NC(=O)OC(C)(C)C)C(=O)N1CC(OC)(c2ccc(-c3ccccc3)cc2)CC1C(=O)O)S(=O)(=O)c1ccccc1[N+](=O)[O-]

HCID178446390

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8bdc36cedcf46e9a6c76565ec8fad4c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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