HRID689190

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7679

Benzeneacetyl chloride

C8H7ClO

HCID13396

Benzonitrile, 4-amino-

C7H6N2

HCID81531

Diisopropylethylamine

C8H19N

HCID82558

Benzyl isocyanide

C8H7N

结构：COc1cc(C=O)c([N+](=O)[O-])cc1OCc1ccccc1

HCID561363

4-(Benzyloxy)-5-methoxy-2-nitrobenzaldehyde

C15H13NO5

结构：COC(=O)C(Nc1ccc(C#N)cc1)c1cc(OC)c(OCc2ccccc2)cc1N

HCID86756002

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Nc1ccc(C#N)cc1)c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-]

HCID22890463

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe1fbba3e6ef4f65ba7c475576564722
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:51]([c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[O:58][c:59]1[cH:60][c:61]([N+:69](=[O:70])[O-:71])[c:62]([CH:63]=[O:64])[cH:65][c:66]1[O:67][CH3:68].[CH2:81]([N+:82]#[C-:83])[c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[NH2:20][c:21]1[cH:22][c:23]([O:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]([O:33][CH3:34])[cH:35][c:36]1[CH:37]([C:38](=[O:39])[O:40][CH3:41])[NH:42][c:43]1[cH:44][cH:45][c:46]([C:47]#[N:48])[cH:49][cH:50]1.[NH2:72][c:73]1[cH:74][cH:75][c:76]([C:77]#[N:78])[cH:79][cH:80]1.[c:10]1([CH2:11][C:12]([Cl:13])=[O:14])[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[C:38](=[O:39])([O:40][CH3:41])[CH:63]([c:62]1[c:61]([N+:69](=[O:70])[O-:71])[cH:60][c:59]([O:58][CH2:51][c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:66]([O:67][CH3:68])[cH:65]1)[NH:72][c:73]1[cH:74][cH:75][c:76]([C:77]#[N:78])[cH:79][cH:80]1