HRID2157138

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID166653

Hydride

H-

2 次

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)cn2)CC1

HCID2771823

6-[4-(tert-Butoxycarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid

C15H21N3O4

HCID23084913

4-Nitro-1-phenyl-1H-pyrazol-3-amine

C9H8N4O2

结构：CC(C)[P+](On1nnc2ccccc21)(C(C)C)C(C)C

HCID86626030

未命名化合物

HCID178526745

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)Nc3nn(-c4ccccc4)cc3[N+](=O)[O-])cn2)CC1

HCID67408038

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52944d9adb3a40c280494864d12fa330
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

[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23](=[O:24])[N:25]1[CH2:26][CH2:27][N:28]([c:31]2[n:32][cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39]2)[CH2:29][CH2:30]1.[H-:16].[H-:67].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH2:15])[n:6][n:7](-[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:8]1.[N+:69]([c:70]1[cH:71][cH:72][nH:73][n:74]1)([O-:75])=[O:76].[Na+:17].[Na+:68].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][P+:49]([CH:50]([CH3:51])[CH3:52])([CH:53]([CH3:54])[CH3:55])[CH:56]([CH3:57])[CH3:58])[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH:15][C:35]([c:34]2[cH:33][n:32][c:31]([N:28]3[CH2:27][CH2:26][N:25]([C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:24])[CH2:30][CH2:29]3)[cH:39][cH:38]2)=[O:36])[n:6][n:7](-[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:8]1