HRID211275

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID45121913

N,N-Dimethyl-3-nitro-1H-pyrrol-2-amine

C6H9N3O2

HCID86624870

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1[nH]cc(CCN(Cc2ccc(Cl)cc2)Cc2ccc(Cl)nc2)c1[N+](=O)[O-]

HCID86624871

{2-[2-(Dimethylamino)-3-nitropyrrolyl]ethyl}[(6-chloro(3-pyridyl))methyl][(4-chlorophenyl)methyl]amine

C21H23Cl2N5O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af830d25ed874feda9f9c172d5029fa5
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:32](=[O:33])([O-:34])[O-:35].[CH3:21][N:22]([c:23]1[nH:24][cH:25][cH:26][c:27]1[N+:28](=[O:29])[O-:30])[CH3:31].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][N:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[CH2:18][CH2:19][Cl:20])[cH:6][n:7]1.[K+:36].[K+:37].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][N:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]2)[CH2:18][CH2:19][c:26]2[cH:25][nH:24][c:23]([N:22]([CH3:21])[CH3:31])[c:27]2[N+:28](=[O:29])[O-:30])[cH:6][n:7]1