HRID308410

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：C=CCN(C(=O)OCc1ccccc1)c1cnc2n(c1=O)C(C(=O)Nc1ccccc1)CC2(C)CC(=O)OC(C)(C)C

HCID69600882

未命名化合物

结构：C=CCN(C(=O)OCc1ccccc1)c1cnc2n(c1=O)C(C(=O)N(C(=O)OC(C)(C)C)c1ccccc1)CC2(C)N=[N+]=[N-]

HCID178457978

未命名化合物

PRODUCTS

生成物

结构：C=CCN(C(=O)OCc1ccccc1)c1cnc2n(c1=O)C(C(=O)N(C(=O)OC(C)(C)C)c1ccccc1)CC2(C)CC(=O)OC(C)(C)C

HCID69600734

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3ccb8df7966422db1c296ee4e63a1d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:45]([CH3:46])([CH3:47])([CH3:48])[O:49][C:50]([CH2:51][C:52]1([CH3:53])[c:54]2[n:55][cH:56][c:57]([N:58]([CH2:59][CH:60]=[CH2:61])[C:62]([O:63][CH2:64][c:65]3[cH:66][cH:67][cH:68][cH:69][cH:70]3)=[O:71])[c:72](=[O:73])[n:74]2[CH:75]([C:76](=[O:77])[NH:78][c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[CH2:85]1)=[O:86].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([N:10]([c:11]1[cH:12][n:13][c:14]2[n:15]([c:16]1=[O:17])[CH:18]([C:25](=[O:26])[N:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:19][C:20]2([CH3:21])[N:22]=[N+:23]=[N-:24])[CH2:41][CH:42]=[CH2:43])=[O:44]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([N:10]([c:11]1[cH:12][n:13][c:14]2[n:15]([c:16]1=[O:17])[CH:18]([C:25](=[O:26])[N:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:19][C:20]2([CH3:21])[CH2:51][C:50]([O:49][C:45]([CH3:46])([CH3:47])[CH3:48])=[O:86])[CH2:41][CH:42]=[CH2:43])=[O:44]