HRID673719

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID712

Formaldehyde

CH2O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID66960

Dimethylaminopropyl chloride

C5H12ClN

结构：O=C(c1ccccc1)c1ccccc1Nc1ncccc1[N+](=O)[O-]

HCID13388384

{2-[(3-Nitropyridin-2-yl)amino]phenyl}(phenyl)methanone

C18H13N3O3

结构：CCCCCCCC(=O)C([NH3+])(C(=O)CCCCCCC)C(=O)CCCCCCC

HCID178443786

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCCN(c1ccccc1C(=O)c1ccccc1)c1ncccc1[N+](=O)[O-]

HCID54525496

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cff481164414b52af8766945941fcba
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

[C:36]([C:37]([NH3+:38])([C:39](=[O:40])[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47])[C:48](=[O:49])[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH3:56])(=[O:57])[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH3:64].[CH2:65]=[O:66].[CH2:67]([Cl:68])[Cl:69].[CH3:26][N:27]([CH2:28][CH2:29][CH2:30][Cl:31])[CH3:32].[Cl-:35].[ClH:25].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH:10][c:11]2[c:12]([C:17](=[O:18])[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:13][cH:14][cH:15][cH:16]2)[n:6][cH:7][cH:8][cH:9]1.[Na+:34].[OH-:33]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([N:10]([c:11]2[c:12]([C:17](=[O:18])[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:13][cH:14][cH:15][cH:16]2)[CH2:30][CH2:29][CH2:28][N:27]([CH3:26])[CH3:32])[n:6][cH:7][cH:8][cH:9]1