HRID2151527

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

结构：Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2C(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1

HCID22118871

未命名化合物

HCID22715675

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2C(C)CN(CCn2cnc3cccnc32)S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1

HCID22118870

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28c1ffbae2464399895f1e0ee3d37421
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH:1]12[CH2:2][CH2:3][CH:4]([CH2:5][CH2:6]1)[N:7]2[C:8]([C:9]([CH3:10])([CH3:11])[c:12]1[cH:13][c:14]2[c:15]([CH:29]([CH2:30][NH:31][S:32](=[O:33])(=[O:34])[c:35]3[c:36]([N+:44](=[O:45])[O-:46])[cH:37][c:38]([N+:41](=[O:42])[O-:43])[cH:39][cH:40]3)[CH3:47])[c:16](-[c:21]3[cH:22][c:23]([CH3:28])[cH:24][c:25]([CH3:27])[cH:26]3)[nH:17][c:18]2[cH:19][cH:20]1)=[O:48].[O:80]=[C:81]([O:82][CH2:83][CH3:84])[N:85]=[N:86][C:87]([O:88][CH2:89][CH3:90])=[O:91].[c:61]1([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1.[n:49]1[cH:50][n:51]([CH2:58][CH2:59][OH:60])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]12>>[CH:1]12[CH2:2][CH2:3][CH:4]([CH2:5][CH2:6]1)[N:7]2[C:8]([C:9]([CH3:10])([CH3:11])[c:12]1[cH:13][c:14]2[c:15]([CH:29]([CH2:30][N:31]([S:32](=[O:33])(=[O:34])[c:35]3[c:36]([N+:44](=[O:45])[O-:46])[cH:37][c:38]([N+:41](=[O:42])[O-:43])[cH:39][cH:40]3)[CH2:59][CH2:58][n:51]3[cH:50][n:49][c:57]4[c:52]3[n:53][cH:54][cH:55][cH:56]4)[CH3:47])[c:16](-[c:21]3[cH:22][c:23]([CH3:28])[cH:24][c:25]([CH3:27])[cH:26]3)[nH:17][c:18]2[cH:19][cH:20]1)=[O:48]