HRID202748

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID239820

4-(dimethylamino)butanoic acid

C6H13NO2

结构：Nc1ccc(-c2nnc(CN(CCOc3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])o2)cc1

HCID21108637

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCCC(=O)Nc1ccc(-c2nnc(CN(CCOc3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])o2)cc1

HCID21108636

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16bdaccb9e634594b3048074329dc01f
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

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