HRID283970

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID21631

1,3-Isobenzofurandione, 4-nitro-

C8H3NO5

HCID12941762

11-Amino-2,2-dimethyltridecan-1-ol

C15H33NO

结构：CCC(CCCCCCCCC(C)(C)CO)N1C(=O)c2cccc(N=[N+]=[N-])c2C1=O

HCID20291873

未命名化合物

PRODUCTS

生成物

结构：CCC(CCCCCCCCC(C)(C)CO)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O

HCID20291872

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f84705dd69324d5a804903880e4dde40
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

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