HRID1557288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID73219

3,5-Di-tert-butyl-4-hydroxybenzaldehyde

C15H22O2

结构：NC1C(=O)N2CC(C(=O)OCc3ccc([N+](=O)[O-])cc3)(N3CCN(N=Cc4ccccc4)C3=O)SC12

HCID178508089

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(C=NC2C(=O)N3CC(C(=O)OCc4ccc([N+](=O)[O-])cc4)(N4CCN(N=Cc5ccccc5)C4=O)SC23)cc(C(C)(C)C)c1O

HCID178441002

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69f69dc1521749c19237ed67f2af49e8
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

[C:37]([CH3:38])([CH3:39])([CH3:40])[c:41]1[cH:42][c:43]([CH:44]=[O:45])[cH:46][c:47]([C:50]([CH3:51])([CH3:52])[CH3:53])[c:48]1[OH:49].[NH2:1][CH:2]1[CH:3]2[S:4][C:5]([C:10](=[O:11])[O:12][CH2:13][c:14]3[cH:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][cH:19]3)([N:23]3[C:24](=[O:36])[N:25]([N:28]=[CH:29][c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[CH2:26][CH2:27]3)[CH2:6][N:7]2[C:8]1=[O:9].[cH:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[N:1]([CH:2]1[CH:3]2[S:4][C:5]([C:10](=[O:11])[O:12][CH2:13][c:14]3[cH:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][cH:19]3)([N:23]3[C:24](=[O:36])[N:25]([N:28]=[CH:29][c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[CH2:26][CH2:27]3)[CH2:6][N:7]2[C:8]1=[O:9])=[CH:44][c:43]1[cH:42][c:41]([C:37]([CH3:38])([CH3:39])[CH3:40])[c:48]([OH:49])[c:47]([C:50]([CH3:51])([CH3:52])[CH3:53])[cH:46]1