HRID210012

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID166653

Hydride

H-

结构：CC(O)(CN1CCN(C(=O)OC(C)(C)C)CC1)Cn1cc([N+](=O)[O-])nc1Br

HCID68653388

未命名化合物

HCID86620631

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(CC2(C)Cn3cc([N+](=O)[O-])nc3O2)CC1

HCID23081080

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7ab5ce765084114930f4934b7c84f67
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:14]([O:15][C:16]([N:17]1[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]1)=[O:23])([CH3:24])([CH3:25])[CH3:26].[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[N:34]1[CH2:35][CH2:36][N:37]([CH2:40][C:41]([CH2:42][n:43]2[c:44]([Br:51])[n:45][c:46]([N+:48](=[O:49])[O-:50])[cH:47]2)([CH3:52])[OH:53])[CH2:38][CH2:39]1.[CH3:1][C:2]1([CH2:3][n:4]2[cH:5][c:6]([N+:7]([O-:8])=[O:9])[n:10][cH:11]2)[CH2:12][O:13]1.[CH:56]([OH:57])([CH3:58])[CH3:59].[H-:54].[Na+:55].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:65]>>[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[N:34]1[CH2:35][CH2:36][N:37]([CH2:40][C:41]2([CH3:52])[CH2:42][n:43]3[c:44]([n:45][c:46]([N+:48](=[O:49])[O-:50])[cH:47]3)[O:53]2)[CH2:38][CH2:39]1