HRID161155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID11334154

4-Boc-1-piperazinecarbonyl Chloride

C10H17ClN2O3

HCID23081081

未命名化合物

PRODUCTS

生成物

结构：CC(O)(COC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)Cn1cc([N+](=O)[O-])nc1Cl

HCID69480641

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9bed49dc7454e8980a79b5a9236025a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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